 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer13_STD_LCPBE_augccpVDZ.in
 Output=12_L-valine_conformer13_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-145840.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    145852.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=12_L-valine_conformer13_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=033700000
 0,3/108=0337000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=337000000,108=337000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:19:53 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "12_L-valine_conformer13_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.440615000000      0.153795000000     -0.669675000000
  C                                                 1.139680000000     -0.482678000000     -0.185187000000
  C                                                -0.064388000000      0.433960000000     -0.468576000000
  C                                                -1.393633000000     -0.311348000000     -0.237189000000
  O                                                -2.341078000000      0.435941000000      0.339139000000
  C                                                 1.225474000000     -0.882175000000      1.288520000000
  N                                                -0.086110000000      1.714563000000      0.252336000000
  O                                                -1.573078000000     -1.451319000000     -0.570526000000
  H                                                -0.064405000000      0.666302000000     -1.537552000000
  H                                                 0.955080000000     -1.389343000000     -0.764288000000
  H                                                -1.913463000000      1.308566000000      0.499915000000
  H                                                 0.364571000000      1.641581000000      1.156509000000
  H                                                 0.373024000000      2.450485000000     -0.265418000000
  H                                                 0.304091000000     -1.355802000000      1.629384000000
  H                                                 2.039602000000     -1.591968000000      1.440373000000
  H                                                 1.432706000000     -0.023887000000      1.934977000000
  H                                                 2.391139000000      0.402937000000     -1.732114000000
  H                                                 2.666906000000      1.070641000000     -0.118883000000
  H                                                 3.280277000000     -0.527749000000     -0.525512000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Aug 16 21:19:54 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.440615    0.153795   -0.669675
      2          6           0        1.139680   -0.482678   -0.185187
      3          6           0       -0.064388    0.433960   -0.468576
      4          6           0       -1.393633   -0.311348   -0.237189
      5          8           0       -2.341078    0.435941    0.339139
      6          6           0        1.225474   -0.882175    1.288520
      7          7           0       -0.086110    1.714563    0.252336
      8          8           0       -1.573078   -1.451319   -0.570526
      9          1           0       -0.064405    0.666302   -1.537552
     10          1           0        0.955080   -1.389343   -0.764288
     11          1           0       -1.913463    1.308566    0.499915
     12          1           0        0.364571    1.641581    1.156509
     13          1           0        0.373024    2.450485   -0.265418
     14          1           0        0.304091   -1.355802    1.629384
     15          1           0        2.039602   -1.591968    1.440373
     16          1           0        1.432706   -0.023887    1.934977
     17          1           0        2.391139    0.402937   -1.732114
     18          1           0        2.666906    1.070641   -0.118883
     19          1           0        3.280277   -0.527749   -0.525512
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.527173   0.000000
     3  C    2.528631   1.539583   0.000000
     4  C    3.886497   2.539632   1.541401   0.000000
     5  O    4.895089   3.637919   2.415724   1.337253   0.000000
     6  C    2.526723   1.529304   2.546241   3.084372   3.919062
     7  N    3.109733   2.553792   1.469738   2.460400   2.593702
     8  O    4.323882   2.906167   2.416778   1.201186   2.231382
     9  H    2.700185   2.144497   1.093934   2.100855   2.959438
    10  H    2.144071   1.091548   2.109785   2.637491   3.926050
    11  H    4.653969   3.605496   2.263181   1.854095   0.984976
    12  H    3.139811   2.629338   2.069603   2.974493   3.072816
    13  H    3.116591   3.032762   2.073397   3.278658   3.433690
    14  H    3.482713   2.180189   2.782168   2.730796   3.445576
    15  H    2.767815   2.163985   3.489304   4.030050   4.951312
    16  H    2.798511   2.188938   2.868446   3.576189   4.123055
    17  H    1.092381   2.177946   2.761721   4.131525   5.165758
    18  H    1.093246   2.179361   2.826237   4.290905   5.068780
    19  H    1.091017   2.167950   3.480648   4.687792   5.768531
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.088200   0.000000
     8  O    3.407619   3.593186   0.000000
     9  H    3.471059   2.074373   2.774086   0.000000
    10  H    2.131749   3.428095   2.536330   2.421356   0.000000
    11  H    3.908218   1.888213   2.979710   2.825383   4.135875
    12  H    2.669817   1.012901   4.037718   2.897094   3.636573
    13  H    3.774655   1.010175   4.370867   2.234497   3.915602
    14  H    1.090622   3.387574   2.893526   3.775471   2.480842
    15  H    1.090720   4.106486   4.137022   4.288900   2.465314
    16  H    1.094308   2.856622   4.165314   3.843977   3.062455
    17  H    3.483463   3.434409   4.527976   2.477279   2.492232
    18  H    2.805708   2.851585   4.953961   3.104218   3.065684
    19  H    2.763792   4.118929   4.940654   3.692815   2.491164
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.394045   0.000000
    13  H    2.667909   1.635932   0.000000
    14  H    3.645834   3.035057   4.252393   0.000000
    15  H    4.992422   3.652690   4.693467   1.761675   0.000000
    16  H    3.877071   2.126196   3.476662   1.772331   1.752665
    17  H    4.932719   3.739700   3.227451   4.329965   3.764027
    18  H    4.628099   2.693203   2.680921   3.811425   3.148694
    19  H    5.603435   4.004563   4.170090   3.766554   2.556666
                   16         17         18         19
    16  H    0.000000
    17  H    3.814227   0.000000
    18  H    2.634309   1.767595   0.000000
    19  H    3.117916   1.764265   1.759665   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.90D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.440615    0.153795   -0.669675
      2          6           0        1.139680   -0.482678   -0.185187
      3          6           0       -0.064388    0.433960   -0.468576
      4          6           0       -1.393633   -0.311348   -0.237189
      5          8           0       -2.341078    0.435941    0.339139
      6          6           0        1.225474   -0.882175    1.288520
      7          7           0       -0.086110    1.714563    0.252336
      8          8           0       -1.573078   -1.451319   -0.570526
      9          1           0       -0.064405    0.666302   -1.537552
     10          1           0        0.955080   -1.389343   -0.764288
     11          1           0       -1.913463    1.308566    0.499915
     12          1           0        0.364571    1.641581    1.156509
     13          1           0        0.373024    2.450485   -0.265418
     14          1           0        0.304091   -1.355802    1.629384
     15          1           0        2.039602   -1.591968    1.440373
     16          1           0        1.432706   -0.023887    1.934977
     17          1           0        2.391139    0.402937   -1.732114
     18          1           0        2.666906    1.070641   -0.118883
     19          1           0        3.280277   -0.527749   -0.525512
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.0457750           1.4734547           1.2560050
 Leave Link  202 at Mon Aug 16 21:19:54 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       408.5379247680 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.337000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.337000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:19:55 2021, MaxMem=  5637144576 cpu:              11.5 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  7.76D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               2.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer13_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               2.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636960417 LenY=  5636870575
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -401.234070707513    
 DIIS: error= 2.71D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -401.234070707513     IErMin= 1 ErrMin= 2.71D-03
 ErrMax= 2.71D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-02 BMatP= 1.09D-02
 IDIUse=3 WtCom= 9.73D-01 WtEn= 2.71D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.429 Goal=   None    Shift=    0.000
 GapD=    0.429 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=8.64D-03 MaxDP=7.53D-01              OVMax= 1.67D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.55D-03    CP:  1.05D+00
 E= -401.243610606169     Delta-E=       -0.009539898656 Rises=F Damp=F
 DIIS: error= 1.49D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -401.243610606169     IErMin= 2 ErrMin= 1.49D-03
 ErrMax= 1.49D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-03 BMatP= 1.09D-02
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.49D-02
 Coeff-Com:  0.138D+00 0.862D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.136D+00 0.864D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=1.32D-03 MaxDP=1.24D-01 DE=-9.54D-03 OVMax= 1.08D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.38D-04    CP:  1.06D+00  1.13D+00
 E= -401.244026709492     Delta-E=       -0.000416103323 Rises=F Damp=F
 DIIS: error= 1.33D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -401.244026709492     IErMin= 3 ErrMin= 1.33D-03
 ErrMax= 1.33D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-03 BMatP= 1.45D-03
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.33D-02
 Coeff-Com: -0.401D-01 0.472D+00 0.568D+00
 Coeff-En:   0.000D+00 0.381D+00 0.619D+00
 Coeff:     -0.396D-01 0.471D+00 0.568D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=4.40D-04 MaxDP=3.61D-02 DE=-4.16D-04 OVMax= 5.79D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.24D-04    CP:  1.06D+00  1.17D+00  1.09D+00
 E= -401.244811826040     Delta-E=       -0.000785116548 Rises=F Damp=F
 DIIS: error= 1.71D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -401.244811826040     IErMin= 4 ErrMin= 1.71D-04
 ErrMax= 1.71D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.60D-05 BMatP= 1.12D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.71D-03
 Coeff-Com: -0.148D-01 0.925D-01 0.156D+00 0.766D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.148D-01 0.924D-01 0.156D+00 0.766D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=1.05D-04 MaxDP=6.30D-03 DE=-7.85D-04 OVMax= 1.51D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.02D-05    CP:  1.06D+00  1.18D+00  1.18D+00  1.09D+00
 E= -401.244824025051     Delta-E=       -0.000012199010 Rises=F Damp=F
 DIIS: error= 8.30D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -401.244824025051     IErMin= 5 ErrMin= 8.30D-05
 ErrMax= 8.30D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.49D-06 BMatP= 1.60D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.547D-03-0.469D-01-0.321D-01 0.409D+00 0.670D+00
 Coeff:      0.547D-03-0.469D-01-0.321D-01 0.409D+00 0.670D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=4.56D-05 MaxDP=2.60D-03 DE=-1.22D-05 OVMax= 7.60D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.21D-05    CP:  1.06D+00  1.18D+00  1.21D+00  1.16D+00  1.19D+00
 E= -401.244829433299     Delta-E=       -0.000005408249 Rises=F Damp=F
 DIIS: error= 1.42D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -401.244829433299     IErMin= 6 ErrMin= 1.42D-05
 ErrMax= 1.42D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.46D-07 BMatP= 6.49D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.156D-02-0.274D-01-0.271D-01 0.105D+00 0.271D+00 0.677D+00
 Coeff:      0.156D-02-0.274D-01-0.271D-01 0.105D+00 0.271D+00 0.677D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=9.78D-06 MaxDP=7.15D-04 DE=-5.41D-06 OVMax= 1.64D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.85D-06    CP:  1.06D+00  1.18D+00  1.22D+00  1.18D+00  1.26D+00
                    CP:  1.21D+00
 E= -401.244829773129     Delta-E=       -0.000000339830 Rises=F Damp=F
 DIIS: error= 3.70D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -401.244829773129     IErMin= 7 ErrMin= 3.70D-06
 ErrMax= 3.70D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.48D-08 BMatP= 3.46D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.355D-03-0.145D-02-0.321D-02-0.214D-01-0.796D-02 0.190D+00
 Coeff-Com:  0.844D+00
 Coeff:      0.355D-03-0.145D-02-0.321D-02-0.214D-01-0.796D-02 0.190D+00
 Coeff:      0.844D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=3.70D-06 MaxDP=2.44D-04 DE=-3.40D-07 OVMax= 8.31D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.96D-06    CP:  1.06D+00  1.18D+00  1.22D+00  1.18D+00  1.29D+00
                    CP:  1.28D+00  1.10D+00
 E= -401.244829812294     Delta-E=       -0.000000039165 Rises=F Damp=F
 DIIS: error= 1.52D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -401.244829812294     IErMin= 8 ErrMin= 1.52D-06
 ErrMax= 1.52D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.87D-09 BMatP= 2.48D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.567D-04 0.224D-02 0.178D-02-0.165D-01-0.286D-01-0.119D-01
 Coeff-Com:  0.250D+00 0.803D+00
 Coeff:     -0.567D-04 0.224D-02 0.178D-02-0.165D-01-0.286D-01-0.119D-01
 Coeff:      0.250D+00 0.803D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=1.23D-06 MaxDP=7.39D-05 DE=-3.92D-08 OVMax= 3.14D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.73D-07    CP:  1.06D+00  1.18D+00  1.22D+00  1.18D+00  1.30D+00
                    CP:  1.30D+00  1.13D+00  1.17D+00
 E= -401.244829817104     Delta-E=       -0.000000004810 Rises=F Damp=F
 DIIS: error= 5.95D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -401.244829817104     IErMin= 9 ErrMin= 5.95D-07
 ErrMax= 5.95D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.87D-10 BMatP= 2.87D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.588D-04 0.872D-03 0.967D-03-0.273D-02-0.827D-02-0.307D-01
 Coeff-Com: -0.312D-01 0.255D+00 0.816D+00
 Coeff:     -0.588D-04 0.872D-03 0.967D-03-0.273D-02-0.827D-02-0.307D-01
 Coeff:     -0.312D-01 0.255D+00 0.816D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=3.52D-07 MaxDP=1.51D-05 DE=-4.81D-09 OVMax= 1.53D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.16D-07    CP:  1.06D+00  1.18D+00  1.22D+00  1.18D+00  1.30D+00
                    CP:  1.30D+00  1.15D+00  1.25D+00  1.18D+00
 E= -401.244829817863     Delta-E=       -0.000000000759 Rises=F Damp=F
 DIIS: error= 1.60D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -401.244829817863     IErMin=10 ErrMin= 1.60D-07
 ErrMax= 1.60D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.88D-11 BMatP= 3.87D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.497D-06-0.146D-03-0.722D-04 0.163D-02 0.251D-02-0.278D-02
 Coeff-Com: -0.325D-01-0.584D-01 0.112D+00 0.978D+00
 Coeff:     -0.497D-06-0.146D-03-0.722D-04 0.163D-02 0.251D-02-0.278D-02
 Coeff:     -0.325D-01-0.584D-01 0.112D+00 0.978D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=1.50D-07 MaxDP=9.80D-06 DE=-7.59D-10 OVMax= 6.58D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.80D-08    CP:  1.06D+00  1.18D+00  1.22D+00  1.18D+00  1.30D+00
                    CP:  1.30D+00  1.14D+00  1.25D+00  1.28D+00  1.23D+00
 E= -401.244829817937     Delta-E=       -0.000000000075 Rises=F Damp=F
 DIIS: error= 5.75D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -401.244829817937     IErMin=11 ErrMin= 5.75D-08
 ErrMax= 5.75D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.38D-12 BMatP= 2.88D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.551D-05-0.123D-03-0.119D-03 0.646D-03 0.146D-02 0.259D-02
 Coeff-Com: -0.429D-02-0.403D-01-0.578D-01 0.216D+00 0.882D+00
 Coeff:      0.551D-05-0.123D-03-0.119D-03 0.646D-03 0.146D-02 0.259D-02
 Coeff:     -0.429D-02-0.403D-01-0.578D-01 0.216D+00 0.882D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=4.47D-08 MaxDP=2.71D-06 DE=-7.47D-11 OVMax= 2.32D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.51D-08    CP:  1.06D+00  1.18D+00  1.22D+00  1.18D+00  1.30D+00
                    CP:  1.30D+00  1.14D+00  1.25D+00  1.30D+00  1.32D+00
                    CP:  1.14D+00
 E= -401.244829817968     Delta-E=       -0.000000000031 Rises=F Damp=F
 DIIS: error= 2.38D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -401.244829817968     IErMin=12 ErrMin= 2.38D-08
 ErrMax= 2.38D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.72D-13 BMatP= 3.38D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.115D-05-0.303D-05-0.128D-04-0.873D-04-0.398D-04 0.711D-03
 Coeff-Com:  0.273D-02 0.889D-03-0.198D-01-0.767D-01 0.101D+00 0.991D+00
 Coeff:      0.115D-05-0.303D-05-0.128D-04-0.873D-04-0.398D-04 0.711D-03
 Coeff:      0.273D-02 0.889D-03-0.198D-01-0.767D-01 0.101D+00 0.991D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=1.58D-08 MaxDP=8.21D-07 DE=-3.07D-11 OVMax= 9.89D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.06D-08    CP:  1.06D+00  1.18D+00  1.22D+00  1.18D+00  1.30D+00
                    CP:  1.30D+00  1.14D+00  1.25D+00  1.30D+00  1.33D+00
                    CP:  1.23D+00  1.14D+00
 E= -401.244829817927     Delta-E=        0.000000000041 Rises=F Damp=F
 DIIS: error= 8.90D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -401.244829817968     IErMin=13 ErrMin= 8.90D-09
 ErrMax= 8.90D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.04D-14 BMatP= 3.72D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.518D-06 0.158D-04 0.127D-04-0.106D-03-0.199D-03-0.156D-03
 Coeff-Com:  0.116D-02 0.546D-02 0.240D-02-0.451D-01-0.950D-01 0.230D+00
 Coeff-Com:  0.901D+00
 Coeff:     -0.518D-06 0.158D-04 0.127D-04-0.106D-03-0.199D-03-0.156D-03
 Coeff:      0.116D-02 0.546D-02 0.240D-02-0.451D-01-0.950D-01 0.230D+00
 Coeff:      0.901D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=7.14D-09 MaxDP=6.63D-07 DE= 4.14D-11 OVMax= 4.07D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -401.244829818     A.U. after   13 cycles
            NFock= 13  Conv=0.71D-08     -V/T= 2.0054
 KE= 3.991081302335D+02 PE=-1.755153347721D+03 EE= 5.462624629020D+02
 Leave Link  502 at Mon Aug 16 21:21:52 2021, MaxMem=  5637144576 cpu:             924.1 elap:             115.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.64861887D+02

 Leave Link  801 at Mon Aug 16 21:21:53 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 1.80D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.68D-01 4.18D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 2.41D-02 2.97D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 2.03D-03 8.55D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 1.27D-04 2.16D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 4.29D-06 2.71D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 1.60D-07 5.27D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 4.39D-09 9.63D-06.
     11 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 8.63D-11 1.10D-06.
      9 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 1.40D-12 1.33D-07.
      4 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 2.43D-14 1.79D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.49D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.866935D+02
      2 -0.876054D-01  0.807227D+02
      3 -0.205479D+01  0.148345D+01  0.707921D+02
 Isotropic polarizability for W=    0.088559       79.40 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.727312D+02 -0.762509D+01 -0.260049D+01
      2  -0.417106D+02  0.866496D+01 -0.103338D+01
      3  -0.310205D+02 -0.103987D+01  0.363387D+01
      4  -0.347389D+01  0.368182D+02 -0.213594D+02
      5   0.569348D+01 -0.233222D+02  0.742453D+02
      6  -0.912761D+01  0.754931D+01 -0.827806D-01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.609716D+00 -0.245213D+00  0.102485D+01
      2   0.259943D+01 -0.798246D+01  0.337798D+02
      3   0.649543D+01 -0.171851D+02  0.858951D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.196284D+01  0.858269D+01 -0.957091D+00
      2  -0.829397D+01 -0.122318D+02  0.105266D+03
      3   0.415120D+01 -0.785289D+02  0.141946D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.187186D+00 -0.552464D+00 -0.148081D+01
      2  -0.552464D+00  0.154167D+01 -0.806575D+00
      3  -0.148081D+01 -0.806575D+00 -0.137719D+00
 OR G Eigenvalues:    -1.9109     1.2597     1.8680  Iso=    -0.4056
 Eigenvectors:
   (1)   0.675773   0.268501   0.686468
   (2)   0.735969  -0.297569  -0.608114
   (3)   0.040993   0.916166  -0.398698
 w=    0.088559 a.u., Optical Rotation Beta=     -0.4056 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =     -175.56 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 8.00D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.34D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 3.44D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 2.19D-02 3.50D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 1.16D-03 3.50D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 1.47D-05 4.63D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 2.15D-07 4.01D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 2.29D-09 3.69D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 1.82D-11 3.86D-07.
     30 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 1.29D-13 3.71D-08.
      3 vectors produced by pass  8 Test12= 2.23D-14 2.78D-09 XBig12= 9.89D-16 3.19D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.33D-15
 Solved reduced A of dimension   243 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 4.15D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 4.15D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.41D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.866935D+02 -0.876054D-01 -0.205479D+01
      2  -0.876054D-01  0.807227D+02  0.148345D+01
      3  -0.205479D+01  0.148345D+01  0.707921D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.609716D+00 -0.245213D+00  0.102485D+01
      2   0.259943D+01 -0.798246D+01  0.337798D+02
      3   0.649543D+01 -0.171851D+02  0.858951D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.727312D+02 -0.762509D+01 -0.260049D+01
      2  -0.417106D+02  0.866496D+01 -0.103338D+01
      3  -0.310205D+02 -0.103987D+01  0.363387D+01
      4  -0.347389D+01  0.368182D+02 -0.213594D+02
      5   0.569348D+01 -0.233222D+02  0.742453D+02
      6  -0.912761D+01  0.754931D+01 -0.827806D-01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.129218D+01  0.370532D+01 -0.206928D+01  0.415962D+01 -0.289817D+01
      2   0.370532D+01 -0.246713D+01 -0.917788D+00 -0.289817D+01 -0.213124D+01
      3  -0.206928D+01 -0.917788D+00  0.514402D+00 -0.844556D+00 -0.203441D+01
                 6             7             8             9            10 
      1  -0.844556D+00 -0.228303D+01 -0.559208D+00 -0.316791D+00  0.202114D+01
      2  -0.203441D+01 -0.559208D+00 -0.202507D+01 -0.288315D+01 -0.327204D+01
      3  -0.267573D+01 -0.316791D+00 -0.288315D+01  0.593782D+01  0.241749D+01
                11            12            13            14            15 
      1  -0.327204D+01  0.241749D+01 -0.414412D+01  0.162982D+01  0.977622D+00
      2   0.178077D+01  0.111747D+01  0.162982D+01  0.245834D+01  0.226360D+01
      3   0.111747D+01 -0.218860D+00  0.977622D+00  0.226360D+01  0.306362D+01
                16            17            18            19            20 
      1   0.273885D+01  0.742879D+00 -0.238521D-01 -0.767330D+00  0.316639D+01
      2   0.742879D+00  0.206837D+01  0.345063D+01  0.316639D+01 -0.884427D+00
      3  -0.238521D-01  0.345063D+01 -0.349817D+01 -0.445294D+00 -0.227450D+00
                21            22            23            24            25 
      1  -0.445294D+00  0.352331D+01  0.222238D+00  0.222944D+00 -0.573105D+00
      2  -0.227450D+00  0.222238D+00 -0.185549D+01 -0.971091D+00  0.717103D+00
      3  -0.524191D-01  0.222944D+00 -0.971091D+00 -0.115535D+01  0.175480D+00
                26            27            28            29            30 
      1   0.717103D+00  0.175480D+00 -0.152624D+01 -0.219061D+01 -0.321651D+00
      2  -0.972195D+00 -0.208108D+01 -0.219061D+01  0.294949D+00  0.655116D+00
      3  -0.208108D+01  0.537190D+01 -0.321651D+00  0.655116D+00 -0.189771D+00
                31            32            33            34            35 
      1  -0.277234D+00  0.167764D+01  0.882520D+00  0.149202D+00  0.112895D+01
      2   0.167764D+01  0.519184D+01  0.162687D+01  0.112895D+01  0.198008D+01
      3   0.882520D+00  0.162687D+01  0.778952D+00  0.336109D+00  0.816027D+00
                36            37            38            39            40 
      1   0.336109D+00 -0.798037D+01  0.139044D+01  0.147911D+01 -0.208955D+01
      2   0.816027D+00  0.139044D+01 -0.197195D+01 -0.504439D+00 -0.364409D+01
      3  -0.321145D-01  0.147911D+01 -0.504439D+00 -0.117955D+01 -0.178381D+00
                41            42            43            44            45 
      1  -0.364409D+01 -0.178381D+00  0.119428D+01 -0.779528D+00 -0.200906D+01
      2  -0.134511D+01 -0.224033D+00 -0.779528D+00 -0.614679D+00  0.650868D+00
      3  -0.224033D+00 -0.558905D-01 -0.200906D+01  0.650868D+00  0.196308D+01
                46            47            48            49            50 
      1   0.188567D+00  0.464660D+01 -0.288291D+01  0.459467D+01 -0.209480D+01
      2   0.464660D+01 -0.224676D+01 -0.668172D+00 -0.209480D+01 -0.241898D+00
      3  -0.288291D+01 -0.668172D+00  0.280103D+00 -0.740241D+00 -0.290975D+01
                51            52            53            54            55 
      1  -0.740241D+00 -0.228956D+01 -0.741816D+00  0.187036D+00 -0.928355D+00
      2  -0.290975D+01 -0.741816D+00 -0.242382D+01 -0.291039D+01 -0.106554D+01
      3  -0.231025D+01  0.187036D+00 -0.291039D+01  0.192455D+01 -0.139173D+00
                56            57            58            59            60 
      1  -0.106554D+01 -0.139173D+00 -0.861106D+00 -0.275278D+01  0.224046D+00
      2  -0.266509D+01  0.354993D+00 -0.275278D+01  0.232375D+01  0.190906D+01
      3   0.354993D+00 -0.197656D+01  0.224046D+00  0.190906D+01  0.123570D+00
                61            62            63            64            65 
      1   0.557332D-01  0.457029D+00 -0.226385D+01 -0.145627D+01 -0.279471D+01
      2   0.457029D+00  0.212233D+01  0.491050D+00 -0.279471D+01 -0.186313D+01
      3  -0.226385D+01  0.491050D+00 -0.211363D+01 -0.993762D+00 -0.916283D+00
                66            67            68            69            70 
      1  -0.993762D+00 -0.417243D+01 -0.235349D+01 -0.618195D+00 -0.148007D+01
      2  -0.916283D+00 -0.235349D+01 -0.118029D+02 -0.234948D+01 -0.702396D+00
      3  -0.471904D+00 -0.618195D+00 -0.234948D+01 -0.269138D+01 -0.111687D+01
                71            72            73            74            75 
      1  -0.702396D+00 -0.111687D+01  0.256747D+00 -0.249438D+00 -0.104849D+01
      2  -0.187630D+01 -0.329427D+01 -0.249438D+00  0.808240D-01  0.311509D-01
      3  -0.329427D+01 -0.257081D+01 -0.104849D+01  0.311509D-01 -0.287770D-01
                76            77            78            79            80 
      1  -0.497424D+00 -0.721263D-01  0.156022D+00 -0.190720D+01 -0.484144D-01
      2  -0.721263D-01  0.146578D+01 -0.122144D+01 -0.484144D-01 -0.169621D+01
      3   0.156022D+00 -0.122144D+01  0.124878D+01 -0.179892D+00  0.175180D+01
                81            82            83            84            85 
      1  -0.179892D+00 -0.121143D+01 -0.371581D+00 -0.105129D+01 -0.106606D+01
      2   0.175180D+01 -0.371581D+00 -0.301814D+00 -0.827125D-01 -0.380507D+00
      3  -0.771317D+01 -0.105129D+01 -0.827125D-01 -0.203231D+00 -0.192909D+00
                86            87            88            89            90 
      1  -0.380507D+00 -0.192909D+00 -0.162832D+01 -0.201243D+00 -0.125841D-01
      2  -0.541304D+01 -0.214934D+01 -0.201243D+00 -0.225092D+01 -0.217834D+01
      3  -0.214934D+01 -0.259108D+01 -0.125841D-01 -0.217834D+01 -0.212356D+01
                91            92            93            94            95 
      1   0.115011D+01  0.195943D+01  0.514272D-01  0.464341D+01  0.463560D+00
      2   0.195943D+01  0.435537D+00  0.190943D+00  0.463560D+00  0.424063D+01
      3   0.514272D-01  0.190943D+00 -0.290822D+00 -0.373704D+00  0.957829D+00
                96            97            98            99           100 
      1  -0.373704D+00  0.726159D+00 -0.284010D-01 -0.737323D+00  0.543437D+00
      2   0.957829D+00 -0.284010D-01  0.901919D+00  0.643917D+00  0.349095D+00
      3   0.112103D+01 -0.737323D+00  0.643917D+00  0.900771D+00  0.986209D+00
               101           102           103           104           105 
      1   0.349095D+00  0.986209D+00  0.246618D+00  0.585112D+00  0.563627D-01
      2   0.104996D+01  0.335234D+00  0.585112D+00  0.292102D+00  0.731018D+00
      3   0.335234D+00  0.166709D+01  0.563627D-01  0.731018D+00  0.124646D+00
               106           107           108           109           110 
      1   0.232534D+01 -0.536702D-01  0.176933D+01  0.111921D+01  0.150585D+01
      2  -0.536702D-01  0.217764D+01  0.764384D+00  0.150585D+01  0.281761D+01
      3   0.176933D+01  0.764384D+00  0.475485D+01 -0.281944D+00 -0.520606D+00
               111           112           113           114           115 
      1  -0.281944D+00  0.242332D+01  0.227778D+01 -0.555333D+00 -0.117805D+01
      2  -0.520606D+00  0.227778D+01  0.586602D+01 -0.115980D+01 -0.882052D+00
      3   0.655675D+00 -0.555333D+00 -0.115980D+01  0.131861D+01  0.650334D+00
               116           117           118           119           120 
      1  -0.882052D+00  0.650334D+00 -0.462632D+01 -0.189401D+01  0.163752D+01
      2  -0.266099D+01  0.139766D+01 -0.189401D+01 -0.176512D+01  0.130122D+01
      3   0.139766D+01 -0.113898D+01  0.163752D+01  0.130122D+01 -0.266665D+01
               121           122           123           124           125 
      1  -0.211863D+01 -0.104013D+01  0.762933D+00  0.125238D+01  0.771166D+00
      2  -0.104013D+01 -0.208320D+01  0.148780D+01  0.771166D+00  0.113564D+01
      3   0.762933D+00  0.148780D+01 -0.119425D+01 -0.137631D+01 -0.719516D+00
               126           127           128           129           130 
      1  -0.137631D+01  0.456718D+01 -0.313974D+01  0.170464D+01 -0.315333D+01
      2  -0.719516D+00 -0.313974D+01  0.316482D+01 -0.110254D+01  0.272179D+01
      3   0.167699D+01  0.170464D+01 -0.110254D+01  0.178677D+01 -0.900494D+00
               131           132           133           134           135 
      1   0.272179D+01 -0.900494D+00  0.812876D+00 -0.516420D+00  0.102176D+01
      2  -0.400394D+01  0.172040D+01 -0.516420D+00  0.985572D+00 -0.740015D+00
      3   0.172040D+01 -0.130314D+01  0.102176D+01 -0.740015D+00  0.802467D+00
               136           137           138           139           140 
      1   0.805002D+00  0.196873D+00  0.112560D+01  0.100989D+01  0.489329D+00
      2   0.196873D+00  0.819785D+00  0.419688D+00  0.489329D+00  0.330247D+01
      3   0.112560D+01  0.419688D+00  0.977594D+00  0.786056D+00  0.181295D+01
               141           142           143           144           145 
      1   0.786056D+00  0.116178D+01  0.289744D+00  0.701873D+00  0.213616D+00
      2   0.181295D+01  0.289744D+00  0.198277D+01  0.177313D+01 -0.720091D-01
      3   0.348910D+01  0.701873D+00  0.177313D+01  0.389241D+01 -0.789941D+00
               146           147           148           149           150 
      1  -0.720091D-01 -0.789941D+00  0.353465D-01  0.628529D+00 -0.245785D+00
      2   0.122305D+00  0.954479D-01  0.628529D+00  0.104632D+01 -0.113474D+01
      3   0.954479D-01 -0.282682D-01 -0.245785D+00 -0.113474D+01  0.166587D+01
               151           152           153           154           155 
      1  -0.211874D+01 -0.293406D+00  0.165537D+01  0.136894D+01  0.917491D+00
      2  -0.293406D+00 -0.151531D+01  0.186641D+01  0.917491D+00  0.137071D+01
      3   0.165537D+01  0.186641D+01 -0.869806D+01  0.687107D+00  0.396726D+00
               156           157           158           159           160 
      1   0.687107D+00  0.236268D+01  0.196858D+01  0.265652D+00  0.196462D+01
      2   0.396726D+00  0.196858D+01  0.501381D+01  0.137475D+01  0.791404D+00
      3   0.369255D+00  0.265652D+00  0.137475D+01  0.185169D+01  0.565007D+00
               161           162           163           164           165 
      1   0.791404D+00  0.565007D+00  0.755453D+01 -0.278780D+01 -0.653620D-01
      2   0.218663D+01  0.146055D+01 -0.278780D+01  0.222816D+01  0.419959D-01
      3   0.146055D+01  0.104500D+01 -0.653620D-01  0.419959D-01  0.105592D+01
               166           167           168           169           170 
      1  -0.461898D+01  0.257171D+01  0.315440D+00  0.107685D+01 -0.917222D-01
      2   0.257171D+01 -0.232422D+01  0.269800D+00 -0.917222D-01  0.494552D+00
      3   0.315440D+00  0.269800D+00 -0.808793D+00  0.974225D+00 -0.259678D+00
               171 
      1   0.974225D+00
      2  -0.259678D+00
      3  -0.381335D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.277762D+01  0.228647D+01  0.107210D+01  0.280377D+01  0.212276D+01
      2  -0.696887D+01  0.742584D+00  0.101174D+01  0.159385D+01 -0.829673D+01
      3  -0.113118D+02  0.605832D+01  0.272636D+01  0.125648D+02  0.705132D+01
                 6             7             8             9            10 
      1   0.436575D+00  0.179686D+01  0.429801D+01 -0.236808D-01  0.309581D+01
      2  -0.853917D+01 -0.625180D+01 -0.895516D+01  0.170523D+02  0.666556D+01
      3   0.525867D+01  0.856437D+00  0.622757D+01  0.786162D+01  0.380381D+01
                11            12            13            14            15 
      1  -0.493458D+00 -0.140137D+00 -0.494387D+00  0.314246D+01 -0.264909D+01
      2  -0.964810D+00  0.372953D+01 -0.171564D+01  0.385618D+01  0.346408D+01
      3  -0.272709D+01 -0.147323D+01  0.381906D+01 -0.568199D+01 -0.476939D+01
                16            17            18            19            20 
      1   0.380996D-01  0.374536D+01 -0.260960D+01 -0.324149D+01  0.635482D+00
      2  -0.350095D+01  0.387352D+01 -0.316623D+01 -0.126551D+01  0.122338D+01
      3  -0.199774D+01 -0.397770D+01 -0.401361D+01  0.178985D+01 -0.436776D+01
                21            22            23            24            25 
      1  -0.109294D+01  0.346908D+00  0.755450D+00  0.981066D+00 -0.162076D+01
      2   0.127942D+01  0.450399D+01 -0.190182D+01  0.249127D+01 -0.322838D+01
      3   0.626765D+00  0.105635D+01 -0.304750D+01  0.140202D+01 -0.120677D+01
                26            27            28            29            30 
      1   0.533122D+01  0.608233D+00  0.116039D+01  0.124895D+01  0.276843D+00
      2   0.106145D+01 -0.233610D+01 -0.533002D+01  0.577581D+00 -0.467459D+01
      3   0.111355D+01  0.609775D+00 -0.721009D+01 -0.138958D+00 -0.131084D+01
                31            32            33            34            35 
      1   0.252393D+01 -0.545986D+01  0.687284D+01  0.122351D+01  0.669721D+01
      2   0.583411D+01  0.402554D-02 -0.260023D+01 -0.170190D+02 -0.278121D+01
      3  -0.928031D-01  0.114237D+02  0.762823D-01 -0.336063D+01 -0.427100D+00
                36            37            38            39            40 
      1   0.532577D+01 -0.151851D+01 -0.258023D+01  0.235736D+01 -0.176680D+01
      2   0.343368D+01  0.693220D+00  0.233982D+01  0.888851D+01  0.166936D+01
      3   0.929648D+00 -0.374497D+01 -0.145595D+02 -0.117631D+01 -0.111414D+02
                41            42            43            44            45 
      1  -0.166332D+01 -0.384153D+01  0.657361D-01  0.230685D+01 -0.153792D+01
      2   0.179028D+01  0.896950D+00  0.598890D+01  0.230596D+00 -0.541482D+01
      3  -0.105117D+02 -0.119125D+01 -0.256067D+00  0.566837D-01  0.111618D+01
                46            47            48            49            50 
      1   0.477884D+01 -0.472973D+01 -0.550204D+00 -0.407643D+01 -0.329352D+01
      2  -0.500596D+01 -0.943071D+01  0.931793D+01 -0.783251D+01 -0.101038D+01
      3  -0.752073D+01 -0.418307D+01  0.462795D+01 -0.388175D+00  0.324726D+01
                51            52            53            54            55 
      1  -0.118676D+02 -0.112842D+01 -0.678486D+01 -0.199649D+01  0.649019D+00
      2  -0.266813D+01  0.242520D+01 -0.284885D+01  0.132189D+01  0.560604D+00
      3   0.504738D+01  0.365219D+01  0.487378D+01  0.369767D+01 -0.315201D+01
                56            57            58            59            60 
      1  -0.333755D+01  0.598243D+01 -0.329126D+01 -0.681160D+01 -0.463564D+01
      2   0.182301D+01  0.598457D+01 -0.304478D+00  0.422913D+00 -0.142521D+01
      3  -0.101350D+02 -0.172672D+01  0.212548D+01 -0.291938D+01  0.183145D+01
                61            62            63            64            65 
      1   0.655002D+01  0.403853D+01  0.475359D+01  0.394649D+00  0.102198D+01
      2  -0.190052D+01 -0.118623D+01  0.194076D+01  0.135336D+01  0.355035D+00
      3   0.480130D+00  0.374229D+01 -0.549149D+01 -0.129087D+01 -0.453591D+01
                66            67            68            69            70 
      1  -0.226377D+01  0.249706D+00  0.488241D+01 -0.100002D+02 -0.440768D+00
      2   0.477027D+01 -0.588326D+01  0.167818D+01  0.534843D+01  0.868662D+00
      3  -0.695420D+00  0.955164D+01 -0.196064D+02 -0.248046D+01  0.163845D+01
                71            72            73            74            75 
      1   0.195580D+01 -0.210387D+01  0.692230D+00 -0.368252D+00  0.131444D+00
      2   0.567710D+01  0.302613D+01  0.120257D+01 -0.168643D+00  0.735296D-01
      3  -0.229120D+01 -0.553753D+01  0.583702D+00 -0.415405D+00 -0.508831D+00
                76            77            78            79            80 
      1  -0.249418D+00 -0.173413D+01 -0.708241D+00  0.234093D+00  0.274467D+01
      2  -0.214000D+00  0.434413D+00 -0.355853D+00 -0.383864D+01 -0.295515D-01
      3   0.146861D+01  0.384166D+00 -0.281019D+00 -0.103543D+01 -0.489691D+00
                81            82            83            84            85 
      1   0.201628D+01 -0.913102D+00  0.147625D+00 -0.209773D+00 -0.148613D+00
      2   0.893419D+00 -0.274361D+01 -0.232838D+00 -0.138589D+00 -0.168614D+01
      3   0.967824D-01  0.277446D+01  0.480501D+00  0.113849D+01  0.458814D+01
                86            87            88            89            90 
      1   0.107509D+01 -0.318216D+01  0.312848D-01  0.715625D+00 -0.100106D+01
      2  -0.248650D+01 -0.297188D+01 -0.283280D+01 -0.241114D+01 -0.229932D+01
      3   0.722631D+01  0.316251D+01  0.249790D+01  0.312776D+01  0.290092D+01
                91            92            93            94            95 
      1   0.131174D+01  0.158776D+01  0.141831D+01  0.178480D+01  0.216155D+01
      2  -0.224756D+01 -0.213061D+01 -0.162710D+01 -0.231608D+01 -0.403930D+01
      3   0.596115D+01  0.843765D+01  0.776177D+00  0.120549D+02  0.164926D+02
                96            97            98            99           100 
      1  -0.441179D+00  0.127164D+01  0.167679D+01 -0.249698D+00 -0.280185D+01
      2  -0.360571D+01 -0.208974D+01 -0.229031D+01 -0.123186D+01 -0.180412D+01
      3   0.287759D+01  0.134203D+01  0.223063D+01  0.260119D+00  0.227953D+01
               101           102           103           104           105 
      1   0.116822D+01 -0.512014D+01  0.109146D+01 -0.222476D+01  0.389459D+00
      2   0.416382D-01 -0.847963D+00  0.313474D+00 -0.108847D+01  0.703268D+00
      3  -0.277811D+00  0.241476D+01  0.440118D+00  0.122007D+01 -0.281449D-02
               106           107           108           109           110 
      1  -0.568744D+01  0.158905D+01 -0.109871D+02  0.108664D+01  0.239868D+01
      2  -0.401756D+01  0.613610D+00 -0.204226D+01  0.298984D+00 -0.310658D+00
      3   0.584660D+01 -0.588721D+00  0.478476D+01  0.409544D+01  0.286325D+01
               111           112           113           114           115 
      1  -0.260119D+01  0.280381D+01  0.449646D+01 -0.422671D+01 -0.234940D+01
      2   0.174149D+00 -0.342367D+00 -0.413940D+00  0.570918D+00 -0.942741D+00
      3  -0.908525D+00  0.782604D+01  0.564557D+01 -0.189239D+01 -0.397258D+01
               116           117           118           119           120 
      1  -0.297004D+01  0.293402D+01 -0.167704D+01 -0.237112D+01 -0.186326D+01
      2   0.202778D+00 -0.195286D+00  0.115793D+02  0.436707D+01 -0.336919D+01
      3  -0.262427D+01  0.196889D+01  0.944956D+01  0.276575D+01 -0.282883D+01
               121           122           123           124           125 
      1  -0.120132D+01 -0.148749D+01 -0.107411D+00 -0.492260D+00  0.225843D+01
      2   0.484316D+01  0.319859D+01 -0.185884D+01 -0.500837D+01 -0.211225D+01
      3   0.537910D+01  0.295928D+01 -0.244880D+01 -0.227699D+01 -0.159063D+01
               126           127           128           129           130 
      1   0.674466D+00 -0.294330D+01  0.436940D+01  0.162956D+01  0.310478D+01
      2   0.346996D+01 -0.480910D+01  0.297440D+01  0.241971D+01  0.423625D+01
      3   0.259228D+01 -0.133948D+01 -0.296420D+01  0.620566D-01  0.166154D+01
               131           132           133           134           135 
      1  -0.396399D+01 -0.735671D+00  0.986200D-01  0.190956D+01 -0.193104D+00
      2  -0.158921D+01 -0.139910D+01 -0.132744D+01  0.188631D+00 -0.146105D+00
      3   0.339033D+01 -0.150188D+01 -0.578049D+00 -0.110093D+01 -0.192302D+00
               136           137           138           139           140 
      1   0.148738D+01  0.192171D+01  0.135437D+01  0.882941D+00  0.107015D+02
      2   0.319460D+00  0.210925D+00  0.661639D+00 -0.185788D+01  0.235252D+01
      3  -0.427070D+00 -0.207948D+01 -0.150121D+01  0.619567D+00 -0.672720D+01
               141           142           143           144           145 
      1   0.463052D+01  0.127768D+01  0.780491D+01  0.624824D+01  0.191213D+00
      2   0.411946D+01 -0.248688D+01  0.190995D+01  0.419871D+01 -0.246624D+01
      3  -0.299523D+01 -0.795536D+00 -0.339073D+01 -0.317646D+01  0.225172D+00
               146           147           148           149           150 
      1   0.569244D-01 -0.106021D+00 -0.318886D+00 -0.135014D+01 -0.545348D+00
      2  -0.109297D+00  0.383143D+00  0.292046D-01 -0.203048D+01  0.457249D+01
      3  -0.100198D+01 -0.196865D+00 -0.322062D+00 -0.287072D+01  0.260141D+01
               151           152           153           154           155 
      1  -0.104525D+00  0.365828D+01  0.878869D+00 -0.102678D+01 -0.126946D+01
      2  -0.120154D+01  0.473572D+01 -0.215165D+02  0.311074D+01  0.180317D+01
      3  -0.362789D+00  0.426724D+01 -0.487930D+01 -0.281100D+01 -0.427905D+01
               156           157           158           159           160 
      1  -0.957731D+00 -0.134705D+01 -0.388729D+01 -0.407091D+01 -0.788420D+00
      2   0.223861D+01  0.171213D+01  0.616022D+01  0.647874D+01  0.814122D+00
      3  -0.792477D+00 -0.195444D+01 -0.154630D+02 -0.462900D+01 -0.470300D+00
               161           162           163           164           165 
      1  -0.849425D+00 -0.221504D+01  0.205179D+01 -0.169340D+01  0.682733D+00
      2   0.480178D+01  0.398886D+01  0.582929D+01 -0.236895D+01  0.511868D+01
      3  -0.721961D+01 -0.419644D+01  0.788805D+01 -0.929927D+01  0.352518D-02
               166           167           168           169           170 
      1  -0.167004D+01  0.179634D+01 -0.169273D+01 -0.182454D-01  0.233069D+00
      2  -0.258319D+01  0.295951D+01 -0.322151D+01  0.220512D+01 -0.637211D+00
      3  -0.591210D+01  0.774404D+01 -0.109326D+01 -0.858356D-03 -0.193894D+01
               171 
      1   0.221231D+00
      2   0.509179D-01
      3   0.668484D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.105262D+02  0.224974D+02 -0.106796D+02  0.267640D+02 -0.154381D+02
      2   0.260609D+01 -0.126550D+02  0.488036D+01 -0.147614D+02  0.250226D+01
      3   0.792006D+01 -0.984243D+01  0.579923D+01 -0.120026D+02  0.129358D+02
      4   0.243320D+02 -0.134091D+02 -0.473675D+01 -0.192372D+02 -0.110282D+02
      5  -0.955848D+01 -0.759892D+01  0.405586D+01 -0.914224D+01 -0.952628D+01
      6  -0.462391D+01  0.196279D+01  0.763092D-01  0.144707D+01 -0.860778D+00
                 6             7             8             9            10 
      1  -0.787217D+01 -0.130842D+02 -0.566160D+01  0.109128D+02 -0.537304D+01
      2  -0.256259D+01  0.332406D+01 -0.441818D+01  0.664498D+01  0.128951D+01
      3   0.104348D+02  0.976016D+01  0.100798D+02 -0.175578D+02  0.408353D+01
      4  -0.109356D+02 -0.417198D+01 -0.124174D+02 -0.119654D+02 -0.103193D+02
      5  -0.128203D+02  0.464345D+00 -0.128144D+02  0.251999D+02  0.101318D+02
      6  -0.756174D-01 -0.112374D+01 -0.256775D+00  0.533558D+01 -0.422448D+01
                11            12            13            14            15 
      1  -0.918928D+01  0.885790D+01 -0.129623D+02  0.958823D+01  0.629645D+01
      2   0.429716D+01 -0.597934D+01  0.688023D+01 -0.762258D+01 -0.929331D+01
      3   0.489212D+01 -0.287856D+01  0.608204D+01 -0.196565D+01  0.299686D+01
      4   0.429595D+01  0.165733D+01  0.972106D+01  0.510490D+01  0.513737D+01
      5   0.326004D+01 -0.102540D+01  0.617776D+01  0.573842D+01  0.675017D+01
      6   0.139229D+01 -0.694005D+00  0.718838D+00 -0.922482D+01 -0.325428D+01
                16            17            18            19            20 
      1   0.120632D+02  0.480449D+01  0.426913D+01 -0.677034D+01 -0.493135D+00
      2  -0.598280D+01 -0.330788D+01 -0.468668D+01  0.896817D+01 -0.329349D-02
      3  -0.608041D+01 -0.149661D+01  0.417550D+00 -0.219783D+01  0.496429D+00
      4   0.447003D+01  0.492446D+01  0.800145D+01 -0.127110D+01  0.417773D+01
      5  -0.134737D+00  0.801841D+01 -0.858224D+01 -0.243776D+01 -0.151960D+00
      6   0.738546D+00 -0.523514D+01  0.108500D+01  0.339023D+01 -0.250142D+01
                21            22            23            24            25 
      1   0.750862D-01  0.616408D+01  0.322786D+01 -0.146982D+01 -0.447497D+01
      2   0.190388D+01 -0.225173D+01 -0.560215D+01 -0.293889D+01  0.311754D+01
      3  -0.197897D+01 -0.391234D+01  0.237429D+01  0.440872D+01  0.135743D+01
      4   0.108190D+01 -0.675000D+01  0.566348D+01  0.806075D+00 -0.446678D+01
      5   0.707967D+00 -0.231950D+01  0.494284D+00  0.327227D+01 -0.115876D+01
      6   0.690470D+00 -0.655744D+00  0.758444D+00 -0.500053D+01 -0.868010D+00
                26            27            28            29            30 
      1  -0.960527D+00  0.934090D+01 -0.723623D+01  0.110174D+02  0.204592D+01
      2  -0.869390D+01  0.751403D+01  0.121100D+01 -0.843014D+01 -0.647409D+01
      3   0.965443D+01 -0.168549D+02  0.602523D+01 -0.258722D+01  0.442817D+01
      4   0.921939D+00 -0.122912D+00  0.614030D+01 -0.799630D+01 -0.275401D+01
      5  -0.138981D+01  0.655831D+00  0.370184D+01 -0.304287D+01 -0.734837D+01
      6  -0.321333D+01  0.857770D+01 -0.150958D+01 -0.254826D+01 -0.106357D+01
                31            32            33            34            35 
      1   0.172712D+01  0.781945D+01  0.344410D+01  0.371936D+01 -0.111584D+01
      2  -0.434658D+01 -0.171137D+02  0.449106D+01 -0.437949D+01 -0.271609D+01
      3   0.261946D+01  0.929427D+01 -0.793516D+01  0.660136D+00  0.383193D+01
      4  -0.189181D+02 -0.226950D+02 -0.565954D+01 -0.101256D+02 -0.262026D+01
      5  -0.931084D+01 -0.772554D+01 -0.473051D+01 -0.177594D+00 -0.393113D+01
      6  -0.306279D+01 -0.841064D+01 -0.110932D+02 -0.316297D+01  0.179629D+01
                36            37            38            39            40 
      1  -0.397736D+01  0.501819D+02 -0.765040D+01 -0.518265D+01  0.655172D+01
      2  -0.287168D+01 -0.299771D+02  0.157694D+01  0.667182D+01 -0.724300D+01
      3   0.684903D+01 -0.202049D+02  0.607347D+01 -0.148917D+01  0.691277D+00
      4  -0.466227D+01 -0.170015D+02  0.158868D+02  0.219582D+01  0.175111D+02
      5   0.411143D+01 -0.935867D+01  0.135939D+01  0.164172D+02  0.416612D+00
      6  -0.717686D+01 -0.881236D+00 -0.951318D-01 -0.288982D+01 -0.162642D+01
                41            42            43            44            45 
      1   0.114699D+02 -0.497439D+00 -0.318930D+01  0.266440D+01  0.633584D+01
      2  -0.430920D+01 -0.151797D+01  0.305737D+01 -0.151347D+01 -0.103191D+02
      3  -0.716072D+01  0.201541D+01  0.131927D+00 -0.115093D+01  0.398328D+01
      4  -0.102229D+01 -0.692124D+00  0.467022D+01 -0.859194D+00 -0.341890D+01
      5  -0.461240D+00 -0.792899D+00  0.155709D+02 -0.378461D+01 -0.118846D+02
      6  -0.105226D+01  0.658061D+01 -0.980055D+00  0.449084D+01  0.159625D+01
                46            47            48            49            50 
      1   0.822223D+01  0.135476D+02 -0.878438D+01  0.128536D+02 -0.339002D+01
      2  -0.894871D+01 -0.608027D+00  0.515981D+01 -0.117906D-01  0.647309D+01
      3   0.726487D+00 -0.129396D+02  0.362457D+01 -0.128418D+02 -0.308308D+01
      4   0.116678D+02 -0.164597D+02  0.567109D+01 -0.171603D+02  0.364803D+01
      5  -0.607562D+01  0.948607D+01 -0.560654D+01  0.804848D+01 -0.127689D+02
      6   0.157444D+02 -0.525523D+01 -0.309270D+01 -0.584991D+01  0.165691D+01
                51            52            53            54            55 
      1   0.315968D+01 -0.788571D+01  0.192268D+01 -0.601687D+01  0.154271D+02
      2   0.117508D+02  0.433329D+01  0.948152D+01  0.193212D+01 -0.114756D+02
      3  -0.149104D+02  0.355242D+01 -0.114042D+02  0.408475D+01 -0.395150D+01
      4  -0.832245D+01  0.326893D+01 -0.587993D+01 -0.864277D+01 -0.184927D+01
      5  -0.961529D+01 -0.644314D+01 -0.100013D+02  0.467023D+01 -0.113384D+01
      6  -0.741250D+01 -0.320702D+01 -0.496930D+01 -0.104631D+02 -0.696701D+00
                56            57            58            59            60 
      1   0.713193D+01 -0.899186D-01  0.489845D+01 -0.986711D+01 -0.592669D+01
      2  -0.132064D+02  0.380381D+01 -0.116323D+02  0.128451D+02  0.926405D+01
      3   0.607444D+01 -0.371389D+01  0.673381D+01 -0.297795D+01 -0.333737D+01
      4  -0.212602D+01 -0.123570D+01  0.314466D+01 -0.129787D+02  0.112908D+00
      5   0.195839D+00  0.260857D+01  0.723694D+00 -0.839080D+00 -0.239781D+01
      6   0.210463D+01 -0.796029D+01  0.132921D+01  0.117719D+02  0.601597D+01
                61            62            63            64            65 
      1  -0.237850D+01 -0.669715D+01  0.273732D+00  0.102523D+02  0.569368D+01
      2   0.643073D+01  0.127650D+02  0.108264D+01 -0.217719D+01  0.121871D+01
      3  -0.405222D+01 -0.606782D+01 -0.135637D+01 -0.807507D+01 -0.691239D+01
      4   0.366022D+00  0.121525D+01 -0.795357D+01  0.158938D+02  0.188142D+02
      5   0.339831D+01 -0.196362D+01 -0.362435D+01  0.672480D+01  0.585644D+01
      6  -0.858723D+01  0.270661D+01 -0.425153D+01  0.347469D+01  0.332176D+01
                66            67            68            69            70 
      1   0.119049D+01  0.878336D+01 -0.214652D+02 -0.644301D+01  0.304784D+01
      2  -0.767393D+00  0.126040D+01  0.394768D+02  0.202629D+01 -0.102291D+01
      3  -0.423096D+00 -0.100438D+02 -0.180116D+02  0.441672D+01 -0.202493D+01
      4   0.494149D+01  0.240628D+02  0.447639D+02  0.948961D+01  0.545053D+01
      5   0.910929D+01  0.642147D+01  0.115492D+02  0.110370D+02  0.102326D+02
      6   0.425308D+01  0.507084D+01  0.132884D+02  0.170745D+02  0.515870D+01
                71            72            73            74            75 
      1  -0.471987D+01 -0.609088D+01  0.106317D+01  0.594563D+00 -0.241840D+00
      2   0.246055D+01  0.572095D+00 -0.358096D+01 -0.491988D+00 -0.414278D+00
      3   0.225932D+01  0.551878D+01  0.251779D+01 -0.102575D+00  0.656118D+00
      4   0.687976D+01  0.126872D+02 -0.185003D+00  0.165793D+01 -0.185839D+01
      5   0.130084D+02  0.103399D+02  0.246894D+00 -0.126187D+01  0.521216D+01
      6   0.143640D+02  0.975601D+01 -0.199281D+01  0.778197D+00 -0.744374D-01
                76            77            78            79            80 
      1   0.292587D+00 -0.528656D+01  0.328350D+01  0.466783D+00  0.526892D+01
      2   0.275799D+00  0.188928D+01 -0.568417D+00  0.375199D+00  0.286078D+00
      3  -0.568386D+00  0.339728D+01 -0.271508D+01 -0.841982D+00 -0.555500D+01
      4   0.251949D+01 -0.101856D+01  0.482709D+00 -0.659645D+00  0.873422D+00
      5  -0.639318D+00  0.586495D-01 -0.659562D+00  0.552688D+01  0.152625D+00
      6   0.861599D+00 -0.405593D+01  0.833604D+01  0.353758D+00  0.770509D+01
                81            82            83            84            85 
      1  -0.180484D+02 -0.241653D+00 -0.104930D+01 -0.274184D+01 -0.289791D+01
      2  -0.127411D+02  0.213555D+01  0.779151D+00  0.183383D+01  0.216949D+01
      3   0.307895D+02 -0.189389D+01  0.270152D+00  0.908013D+00  0.728414D+00
      4  -0.458646D+00  0.351776D-01  0.298266D+01  0.134721D+01  0.271028D+01
      5   0.111818D+01 -0.181936D+01  0.124744D+01  0.186763D+01  0.118053D+01
      6  -0.130137D+02  0.281607D+01  0.484744D+00  0.744744D+00  0.643344D+00
                86            87            88            89            90 
      1  -0.130631D+02 -0.491169D+01 -0.432309D+01 -0.594685D+01 -0.705074D+01
      2   0.174803D+02  0.638108D+01  0.236335D+01  0.423378D+01  0.203045D+01
      3  -0.441723D+01 -0.146938D+01  0.195975D+01  0.171307D+01  0.502029D+01
      4  -0.109062D+02 -0.424062D+01  0.145621D+00 -0.466090D+01 -0.406571D+01
      5  -0.422663D+01 -0.602005D+01  0.264679D+01 -0.432235D+01 -0.384543D+01
      6   0.116488D+02  0.973461D+01  0.911063D+00  0.996115D+01  0.892727D+01
                91            92            93            94            95 
      1  -0.110699D+02 -0.361888D+01  0.134970D+00 -0.172048D+02 -0.573512D+01
      2   0.100898D+02  0.440516D+00 -0.503890D-01  0.101184D+02  0.813884D+01
      3   0.980110D+00  0.317836D+01 -0.845807D-01  0.708636D+01 -0.240373D+01
      4  -0.482169D+01  0.903756D+00  0.553675D-01  0.604264D+01 -0.157042D+02
      5   0.671531D+00  0.546482D+00 -0.139446D+01  0.275501D+01 -0.294482D+01
      6   0.960716D+00 -0.662031D+00 -0.228752D+01 -0.619150D+00  0.271787D+01
                96            97            98            99           100 
      1  -0.293765D-01 -0.168231D+01 -0.146147D+01 -0.689518D+00 -0.753206D+00
      2   0.530178D+00  0.134456D+01  0.125427D+01 -0.437253D+00 -0.152820D+00
      3  -0.500802D+00  0.337756D+00  0.207199D+00  0.112677D+01  0.906026D+00
      4  -0.388095D+01  0.914886D+00 -0.320532D+01 -0.334150D+01  0.181259D+01
      5  -0.540436D+01  0.359520D+01 -0.285576D+01 -0.294819D+01  0.214116D+01
      6   0.174731D+01 -0.170701D+01  0.281317D+01  0.173356D+01  0.292870D+01
               101           102           103           104           105 
      1  -0.248787D+01 -0.171102D+01 -0.203690D-01 -0.172411D+01 -0.133902D+01
      2   0.369409D+01 -0.613279D+00  0.106254D+01  0.170952D+01  0.183096D+01
      3  -0.120622D+01  0.232430D+01 -0.104217D+01  0.145867D-01 -0.491941D+00
      4   0.345939D+01  0.272856D+01  0.302379D+01  0.135522D+01  0.168956D+01
      5   0.687801D+00  0.329438D+01  0.513952D+00  0.184844D+01  0.835567D+00
      6   0.292312D+01  0.628530D+01  0.212462D+01  0.136631D+01  0.322456D+01
               106           107           108           109           110 
      1  -0.134383D+01 -0.465853D+01 -0.735716D+01 -0.157228D+01 -0.691348D+01
      2  -0.232093D+01  0.566769D+01 -0.433552D+01  0.544133D+01  0.141658D+02
      3   0.366476D+01 -0.100916D+01  0.116927D+02 -0.386905D+01 -0.725233D+01
      4   0.620978D+01  0.231523D+01  0.508134D+01  0.492088D+01  0.860849D+01
      5   0.384868D+01  0.870301D+00  0.474986D+01 -0.127463D+01 -0.936729D+00
      6   0.556357D+01  0.571254D+01  0.154353D+02 -0.218212D+01 -0.352757D+01
               111           112           113           114           115 
      1   0.563221D+00 -0.524591D+01 -0.159867D+02  0.331315D+01  0.229942D+01
      2  -0.253348D+01  0.107694D+02  0.302729D+02 -0.658140D+01 -0.401489D+01
      3   0.197026D+01 -0.552353D+01 -0.142862D+02  0.326825D+01  0.171547D+01
      4  -0.162831D+01  0.961550D+01  0.106523D+02 -0.297911D+01 -0.341682D+01
      5   0.192069D+01  0.179370D+00 -0.126786D+01  0.783771D+00  0.179620D+01
      6   0.329376D+01 -0.351679D+01 -0.795075D+01  0.641187D+01  0.366864D+01
               116           117           118           119           120 
      1   0.734338D+01 -0.462872D+01 -0.939750D+01 -0.921263D+01  0.106138D+02
      2  -0.121226D+02  0.543817D+01  0.523753D+01  0.640934D+01 -0.867382D+00
      3   0.477924D+01 -0.809457D+00  0.415996D+01  0.280329D+01 -0.974643D+01
      4  -0.423513D+01  0.308515D+01  0.697973D+01  0.391164D+01 -0.232474D+01
      5   0.137052D+01 -0.933041D+00 -0.941508D+01 -0.384926D+01  0.312743D+01
      6   0.914190D+01 -0.603806D+01 -0.749270D+01 -0.805893D+01  0.862429D+01
               121           122           123           124           125 
      1  -0.766821D+01 -0.859065D+01  0.620162D+01  0.693363D+01  0.508803D+01
      2   0.515006D+01  0.779756D+01 -0.330924D+01 -0.740001D+00 -0.262566D+01
      3   0.251815D+01  0.793088D+00 -0.289238D+01 -0.619363D+01 -0.246237D+01
      4   0.568753D+01  0.644424D+00  0.205642D+00 -0.204462D+01 -0.466163D+00
      5  -0.482950D+01 -0.373769D+00  0.131248D+01  0.530488D+01  0.216665D+01
      6  -0.476444D+01 -0.851837D+01  0.806913D+01  0.564447D+01  0.683905D+01
               126           127           128           129           130 
      1  -0.801279D+01  0.163076D+02 -0.646830D+01  0.167413D+01 -0.723535D+01
      2  -0.899222D+00 -0.412930D+01 -0.334725D+01 -0.306768D+01 -0.253974D+01
      3   0.891201D+01 -0.121783D+02  0.981556D+01  0.139355D+01  0.977509D+01
      4   0.267557D+01 -0.218593D+02  0.198289D+02 -0.759451D+01  0.188631D+02
      5  -0.264709D+01  0.164863D+02 -0.112784D+02  0.119692D+02 -0.108391D+02
      6  -0.597739D+01 -0.103447D+02  0.106018D+02 -0.703411D+01  0.863171D+01
               131           132           133           134           135 
      1  -0.915931D+00  0.159091D+01  0.525641D+00  0.101241D+01  0.217450D+00
      2   0.105766D+02 -0.142992D+01 -0.209778D+01 -0.129477D+00 -0.174154D+01
      3  -0.966070D+01 -0.160991D+00  0.157214D+01 -0.882937D+00  0.152409D+01
      4  -0.209738D+02  0.761815D+01 -0.352571D+01  0.408838D+01 -0.512385D+01
      5   0.109821D+02 -0.698236D+01  0.825494D+01 -0.495888D+01  0.554640D+01
      6  -0.130628D+02  0.966385D+01 -0.491144D+01  0.728217D+01 -0.424333D+01
               136           137           138           139           140 
      1   0.160460D+01  0.788279D+00  0.219681D+01  0.275504D+01 -0.199044D+01
      2  -0.302372D+01 -0.264851D+01 -0.440142D+01 -0.454540D+01 -0.364449D+01
      3   0.141912D+01  0.186023D+01  0.220461D+01  0.179036D+01  0.563493D+01
      4   0.110226D+01  0.507970D+01  0.767565D+00  0.420788D+01  0.810073D+01
      5   0.578784D+01  0.242367D+01  0.798608D+01  0.602991D+01  0.736688D+01
      6   0.384810D+00  0.293181D+01  0.138428D+01  0.215038D+01  0.112178D+02
               141           142           143           144           145 
      1  -0.514042D+01  0.224164D+01 -0.273912D+01 -0.749402D+01  0.179854D+01
      2  -0.989906D+01 -0.428849D+01 -0.658268D+01 -0.126078D+02 -0.319181D+01
      3   0.150395D+02  0.204685D+01  0.932179D+01  0.201018D+02  0.139327D+01
      4   0.548387D+01  0.302348D+00  0.502763D+01  0.487612D+01 -0.613522D+00
      5   0.120844D+02  0.749901D+01  0.607033D+01  0.127857D+02 -0.375080D+01
      6   0.732190D+01  0.122202D+01  0.865197D+01  0.620287D+01 -0.655541D+00
               146           147           148           149           150 
      1  -0.509189D+00 -0.521147D+01 -0.364377D+00 -0.698499D+00  0.275452D+01
      2   0.276809D+00  0.249245D+01 -0.299922D+00 -0.481752D+00  0.163402D+01
      3   0.232380D+00  0.271902D+01  0.664300D+00  0.118025D+01 -0.438854D+01
      4   0.241029D+01 -0.101109D+01  0.504566D+01  0.506059D+01 -0.519963D+01
      5  -0.734756D+00  0.597478D+01 -0.201260D+01 -0.497593D+01  0.870632D+01
      6  -0.122695D+00  0.315025D+00 -0.137028D+01 -0.336039D+01  0.750463D+01
               151           152           153           154           155 
      1  -0.895321D+01  0.300645D+01 -0.127127D+02  0.975938D+01  0.456126D+01
      2   0.858431D+01  0.141572D+01 -0.180792D+02 -0.212110D+01  0.287817D+00
      3   0.368898D+00 -0.442217D+01  0.307920D+02 -0.763828D+01 -0.484907D+01
      4  -0.278634D+01 -0.722628D+01  0.794051D+01  0.616832D+01  0.115920D+02
      5   0.145446D+02  0.859350D+01 -0.415539D+02  0.313177D+01  0.280581D+01
      6   0.100219D+01  0.783410D+01 -0.780850D+01  0.112705D+01 -0.576636D+00
               156           157           158           159           160 
      1   0.389691D+01  0.110986D+02  0.513732D+01  0.163036D+01  0.104332D+02
      2  -0.107396D+01 -0.255471D+01  0.925580D+01  0.323659D+01 -0.428361D+01
      3  -0.282295D+01 -0.854392D+01 -0.143931D+02 -0.486695D+01 -0.614956D+01
      4   0.370452D+01  0.161767D+02  0.284533D+02  0.767349D+01  0.672276D+01
      5   0.315049D+01  0.182997D+01  0.747773D+01  0.106151D+02  0.420971D+01
      6   0.505279D+00 -0.243202D+00  0.321930D+00  0.353678D+01  0.145262D+01
               161           162           163           164           165 
      1   0.269386D+01 -0.121820D+00  0.539148D+02 -0.183564D+02  0.653751D+00
      2   0.287652D+01 -0.272351D+00 -0.259963D+02  0.830264D+01  0.866585D+00
      3  -0.557038D+01  0.394170D+00 -0.279185D+02  0.100538D+02 -0.152034D+01
      4   0.121402D+02  0.780700D+01 -0.212197D+02  0.171044D+02  0.476095D+00
      5   0.820520D+01  0.639946D+01 -0.625439D+01  0.246921D+01  0.876518D+01
      6   0.307867D+01  0.232292D+01  0.377711D+01 -0.315327D+01 -0.107608D+01
               166           167           168           169           170 
      1  -0.282309D+02  0.130937D+02  0.966372D+00  0.695433D+01 -0.832613D+00
      2   0.123833D+02 -0.201401D+01 -0.106627D+01 -0.242965D+01  0.679878D+00
      3   0.158476D+02 -0.110797D+02  0.998998D-01 -0.452468D+01  0.152735D+00
      4   0.204269D+02 -0.172074D+02  0.115583D+01 -0.132364D+01  0.318428D+01
      5   0.481637D+01 -0.405580D+00 -0.597391D+01  0.771467D+01 -0.252170D+01
      6  -0.332366D+01  0.323178D+01  0.240653D+01 -0.125569D+01  0.201968D+01
               171 
      1   0.365634D+01
      2  -0.341777D+01
      3  -0.238573D+00
      4  -0.239884D+01
      5  -0.161285D+01
      6  -0.516522D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 21:40:16 2021, MaxMem=  5637144576 cpu:            8806.3 elap:            1103.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.97381 -18.92055 -14.19081 -10.18565 -10.11801
 Alpha  occ. eigenvalues --  -10.08083 -10.06259 -10.06024  -1.20613  -1.12193
 Alpha  occ. eigenvalues --   -1.04021  -0.93090  -0.83330  -0.82067  -0.71923
 Alpha  occ. eigenvalues --   -0.69794  -0.66267  -0.63360  -0.59738  -0.57620
 Alpha  occ. eigenvalues --   -0.56811  -0.54555  -0.52831  -0.52158  -0.50192
 Alpha  occ. eigenvalues --   -0.47907  -0.45608  -0.45015  -0.44538  -0.41988
 Alpha  occ. eigenvalues --   -0.40917  -0.36221
 Alpha virt. eigenvalues --    0.01964   0.03678   0.03768   0.04625   0.05865
 Alpha virt. eigenvalues --    0.06066   0.06610   0.06813   0.07329   0.08719
 Alpha virt. eigenvalues --    0.08816   0.09435   0.11072   0.11747   0.12195
 Alpha virt. eigenvalues --    0.13764   0.13801   0.14266   0.14490   0.15117
 Alpha virt. eigenvalues --    0.15254   0.16034   0.16521   0.16904   0.17698
 Alpha virt. eigenvalues --    0.18563   0.18992   0.19060   0.19521   0.19774
 Alpha virt. eigenvalues --    0.20466   0.20975   0.21540   0.23398   0.24370
 Alpha virt. eigenvalues --    0.25162   0.25573   0.26454   0.27217   0.27960
 Alpha virt. eigenvalues --    0.28145   0.28558   0.29651   0.30346   0.30600
 Alpha virt. eigenvalues --    0.31374   0.32727   0.33108   0.33728   0.34697
 Alpha virt. eigenvalues --    0.35295   0.35538   0.36079   0.37095   0.38263
 Alpha virt. eigenvalues --    0.39126   0.39337   0.40481   0.41325   0.42073
 Alpha virt. eigenvalues --    0.42845   0.43611   0.44339   0.44580   0.45053
 Alpha virt. eigenvalues --    0.45504   0.46371   0.46917   0.47350   0.48429
 Alpha virt. eigenvalues --    0.50200   0.50847   0.51122   0.51535   0.52765
 Alpha virt. eigenvalues --    0.53344   0.54265   0.54990   0.55295   0.56197
 Alpha virt. eigenvalues --    0.57518   0.57954   0.58957   0.59047   0.59942
 Alpha virt. eigenvalues --    0.61417   0.62227   0.62528   0.63162   0.65585
 Alpha virt. eigenvalues --    0.65727   0.67165   0.68026   0.68264   0.68821
 Alpha virt. eigenvalues --    0.69750   0.70320   0.71453   0.71732   0.73277
 Alpha virt. eigenvalues --    0.74103   0.75025   0.75783   0.76747   0.77685
 Alpha virt. eigenvalues --    0.77926   0.79818   0.80757   0.81148   0.82105
 Alpha virt. eigenvalues --    0.82510   0.83310   0.84537   0.87004   0.87421
 Alpha virt. eigenvalues --    0.88172   0.89401   0.90211   0.91377   0.91446
 Alpha virt. eigenvalues --    0.93788   0.95184   0.96348   0.97814   0.99305
 Alpha virt. eigenvalues --    1.01405   1.02876   1.03788   1.05860   1.07632
 Alpha virt. eigenvalues --    1.08397   1.10389   1.10770   1.12248   1.13605
 Alpha virt. eigenvalues --    1.15296   1.16860   1.18622   1.19525   1.20722
 Alpha virt. eigenvalues --    1.21890   1.23150   1.24313   1.25353   1.29592
 Alpha virt. eigenvalues --    1.30977   1.31428   1.34263   1.37304   1.38845
 Alpha virt. eigenvalues --    1.40794   1.41682   1.43093   1.46826   1.47221
 Alpha virt. eigenvalues --    1.49467   1.50563   1.53961   1.55565   1.56998
 Alpha virt. eigenvalues --    1.60778   1.62248   1.62605   1.63766   1.66331
 Alpha virt. eigenvalues --    1.68851   1.69044   1.71655   1.74083   1.75557
 Alpha virt. eigenvalues --    1.76080   1.77462   1.80928   1.81602   1.84208
 Alpha virt. eigenvalues --    1.87323   1.88278   1.88557   1.89945   1.92891
 Alpha virt. eigenvalues --    1.93134   1.93676   1.94345   1.97821   1.99307
 Alpha virt. eigenvalues --    2.00895   2.02641   2.05082   2.06076   2.08305
 Alpha virt. eigenvalues --    2.09485   2.11443   2.13635   2.14342   2.16721
 Alpha virt. eigenvalues --    2.17634   2.19976   2.21281   2.22942   2.23780
 Alpha virt. eigenvalues --    2.25487   2.26555   2.28729   2.31239   2.32024
 Alpha virt. eigenvalues --    2.35694   2.37247   2.38592   2.39258   2.41449
 Alpha virt. eigenvalues --    2.42463   2.44305   2.47061   2.49086   2.52921
 Alpha virt. eigenvalues --    2.55424   2.59193   2.60822   2.61726   2.62406
 Alpha virt. eigenvalues --    2.65579   2.69363   2.71482   2.72642   2.76496
 Alpha virt. eigenvalues --    2.76739   2.78659   2.83452   2.85921   2.88610
 Alpha virt. eigenvalues --    2.94293   3.00361   3.04256   3.07689   3.10830
 Alpha virt. eigenvalues --    3.16586   3.22721   3.33517   3.38539   3.45738
 Alpha virt. eigenvalues --    3.47657   3.50185   3.51517   3.53460   3.55384
 Alpha virt. eigenvalues --    3.59315   3.64905   3.71546   3.85103   3.95509
 Alpha virt. eigenvalues --    4.07977
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.885497   0.079424   0.054264  -0.191035   0.020306  -0.260492
     2  C    0.079424   7.574830  -0.676767   0.234302  -0.073947  -0.131126
     3  C    0.054264  -0.676767   8.250284  -1.316425   0.364928  -0.208645
     4  C   -0.191035   0.234302  -1.316425   7.196993  -0.391082  -0.075948
     5  O    0.020306  -0.073947   0.364928  -0.391082   8.400624   0.019126
     6  C   -0.260492  -0.131126  -0.208645  -0.075948   0.019126   4.738189
     7  N    0.015292  -0.045871  -0.234627   0.060353  -0.076883  -0.057749
     8  O    0.009358  -0.039857   0.085057   0.106673  -0.067531   0.035726
     9  H   -0.084134   0.276852  -0.654873  -0.151461   0.000649   0.122699
    10  H   -0.128487  -1.144558   0.200223  -0.176534   0.007524   0.149178
    11  H   -0.011591   0.041787  -0.200053   0.020176   0.218540  -0.015601
    12  H   -0.003562  -0.063392  -0.133309   0.035907  -0.005833   0.006637
    13  H   -0.002732  -0.007673   0.129679  -0.033689   0.003736  -0.003304
    14  H   -0.081263   0.265845  -0.126642  -0.010743   0.002163   0.190815
    15  H    0.098588   0.000198   0.052184  -0.018492   0.000801   0.164143
    16  H   -0.129824  -0.058553  -0.100610   0.063496  -0.000136   0.306593
    17  H    0.143993   0.189295  -0.143483   0.031185   0.000116   0.002603
    18  H    0.367864  -0.056931   0.015028  -0.014885   0.001989  -0.160722
    19  H    0.124321   0.149357   0.067581  -0.020923   0.000309   0.041154
               7          8          9         10         11         12
     1  C    0.015292   0.009358  -0.084134  -0.128487  -0.011591  -0.003562
     2  C   -0.045871  -0.039857   0.276852  -1.144558   0.041787  -0.063392
     3  C   -0.234627   0.085057  -0.654873   0.200223  -0.200053  -0.133309
     4  C    0.060353   0.106673  -0.151461  -0.176534   0.020176   0.035907
     5  O   -0.076883  -0.067531   0.000649   0.007524   0.218540  -0.005833
     6  C   -0.057749   0.035726   0.122699   0.149178  -0.015601   0.006637
     7  N    6.787377  -0.017742   0.057404   0.058076   0.085367   0.387745
     8  O   -0.017742   8.338061   0.016680   0.010287   0.010859   0.003036
     9  H    0.057404   0.016680   1.853369  -0.040140   0.007152   0.030509
    10  H    0.058076   0.010287  -0.040140   2.707416   0.004777  -0.006081
    11  H    0.085367   0.010859   0.007152   0.004777   0.643381  -0.007059
    12  H    0.387745   0.003036   0.030509  -0.006081  -0.007059   0.874556
    13  H    0.272326   0.000896  -0.103618  -0.002947  -0.004119  -0.164944
    14  H    0.024671   0.018210   0.020533  -0.043682  -0.001098  -0.017234
    15  H    0.011973   0.007807   0.000741  -0.092475   0.001149   0.000582
    16  H   -0.044745  -0.006977   0.004469   0.112245  -0.003832   0.023038
    17  H    0.033938  -0.001094  -0.017972  -0.072224  -0.000332   0.008774
    18  H    0.028854  -0.000590  -0.034228   0.120618   0.000759  -0.007027
    19  H   -0.029676   0.001552   0.016372  -0.111955  -0.001009  -0.008584
              13         14         15         16         17         18
     1  C   -0.002732  -0.081263   0.098588  -0.129824   0.143993   0.367864
     2  C   -0.007673   0.265845   0.000198  -0.058553   0.189295  -0.056931
     3  C    0.129679  -0.126642   0.052184  -0.100610  -0.143483   0.015028
     4  C   -0.033689  -0.010743  -0.018492   0.063496   0.031185  -0.014885
     5  O    0.003736   0.002163   0.000801  -0.000136   0.000116   0.001989
     6  C   -0.003304   0.190815   0.164143   0.306593   0.002603  -0.160722
     7  N    0.272326   0.024671   0.011973  -0.044745   0.033938   0.028854
     8  O    0.000896   0.018210   0.007807  -0.006977  -0.001094  -0.000590
     9  H   -0.103618   0.020533   0.000741   0.004469  -0.017972  -0.034228
    10  H   -0.002947  -0.043682  -0.092475   0.112245  -0.072224   0.120618
    11  H   -0.004119  -0.001098   0.001149  -0.003832  -0.000332   0.000759
    12  H   -0.164944  -0.017234   0.000582   0.023038   0.008774  -0.007027
    13  H    0.865206   0.001724   0.000120  -0.005244  -0.001071  -0.007817
    14  H    0.001724   1.641415  -0.388177  -0.292208  -0.016211   0.000531
    15  H    0.000120  -0.388177   1.786367  -0.417595   0.026075  -0.017075
    16  H   -0.005244  -0.292208  -0.417595   1.808698  -0.000067  -0.016206
    17  H   -0.001071  -0.016211   0.026075  -0.000067   1.687021  -0.337274
    18  H   -0.007817   0.000531  -0.017075  -0.016206  -0.337274   1.674317
    19  H    0.003061   0.012530  -0.002148  -0.016032  -0.356136  -0.399994
              19
     1  C    0.124321
     2  C    0.149357
     3  C    0.067581
     4  C   -0.020923
     5  O    0.000309
     6  C    0.041154
     7  N   -0.029676
     8  O    0.001552
     9  H    0.016372
    10  H   -0.111955
    11  H   -0.001009
    12  H   -0.008584
    13  H    0.003061
    14  H    0.012530
    15  H   -0.002148
    16  H   -0.016032
    17  H   -0.356136
    18  H   -0.399994
    19  H    1.692723
 Mulliken charges:
               1
     1  C    1.094213
     2  C   -0.513214
     3  C    0.576207
     4  C    0.652134
     5  O   -0.425403
     6  C    1.136724
     7  N   -0.316083
     8  O   -0.510409
     9  H   -0.321000
    10  H   -0.551260
    11  H    0.210746
    12  H    0.046241
    13  H    0.060410
    14  H   -0.201179
    15  H   -0.214765
    16  H   -0.226510
    17  H   -0.177135
    18  H   -0.157212
    19  H   -0.162505
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.597362
     2  C   -1.064473
     3  C    0.255207
     4  C    0.652134
     5  O   -0.214657
     6  C    0.494270
     7  N   -0.209433
     8  O   -0.510409
 Electronic spatial extent (au):  <R**2>=           1055.3996
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              4.0700    Y=              3.4550    Z=              0.4029  Tot=              5.3539
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -57.4628   YY=            -50.0632   ZZ=            -48.1556
   XY=             -3.7746   XZ=             -0.3737   YZ=             -1.7163
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.5690   YY=              1.8307   ZZ=              3.7383
   XY=             -3.7746   XZ=             -0.3737   YZ=             -1.7163
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              8.8170  YYY=             16.3809  ZZZ=             -1.5437  XYY=              6.5819
  XXY=              5.7645  XXZ=              0.5924  XZZ=             -2.9866  YZZ=              4.7677
  YYZ=              3.2468  XYZ=              2.6027
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -868.7838 YYYY=           -333.7061 ZZZZ=           -214.1699 XXXY=            -21.9863
 XXXZ=              2.8018 YYYX=             -2.9677 YYYZ=             -3.8964 ZZZX=             -1.3226
 ZZZY=              5.2968 XXYY=           -195.1157 XXZZ=           -174.3876 YYZZ=            -90.2536
 XXYZ=             -0.4519 YYXZ=             -4.3269 ZZXY=              0.6165
 N-N= 4.085379247680D+02 E-N=-1.755153346818D+03  KE= 3.991081302335D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 21:40:17 2021, MaxMem=  5637144576 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.54786413D+00 1.36513306D+00 1.64282711D-01
 Polarizability= 8.07011080D+01-4.57700373D-03 7.52912426D+01
                -1.85131322D+00 1.27549900D+00 6.61927954D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.0279    1.0274       -0.0427   -0.0438
 2     -1.0279   -1.0274       -0.7421   -0.7417       -2.9853   -2.9854
 3      0.0427    0.0438        7.9504    7.9507        0.7432    0.7417
 4      0.7421    0.7417       -0.0000    0.0000        0.0432    0.0438
 5     -4.9651   -4.9653       -0.0432   -0.0438        1.0282    1.0274
 6     -0.7432   -0.7417       -1.0282   -1.0274        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -3.0822   -3.0822       -0.1314   -0.1314
 2      2.2252    2.2252       -0.0000    0.0000       -0.1314   -0.1314
 3      2.2252    2.2252       -3.0822   -3.0822       -0.0000    0.0000
 4     -3.0822   -3.0822       -2.2252   -2.2252       -8.9563   -8.9563
 5      0.1314    0.1314       23.8520   23.8520        2.2252    2.2252
 6    -14.8958  -14.8958       -0.1314   -0.1314        3.0822    3.0822
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0193    0.0000       -4.1895   -4.1096        0.1724    0.1752
 2      4.1067    4.1096        2.9639    2.9669       11.9901   11.9417
 3     -0.1897   -0.1752      -31.7978  -31.8027       -2.9418   -2.9669
 4     -2.9469   -2.9669       -0.0189    0.0000       -0.1689   -0.1752
 5     19.8630   19.8611        0.1898    0.1752       -4.0937   -4.1096
 6      2.9642    2.9669        4.0969    4.1096        0.0004    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0104    0.0000        7.5002    7.5203       -2.3215   -2.3542
 2     -7.4929   -7.5203       16.6531   16.5948       17.1396   17.1844
 3      2.3934    2.3542       16.0122   15.9596      -16.6854  -16.5948
 4    -16.6185  -16.5948       -0.0089    0.0000        2.3215    2.3542
 5    -33.1454  -33.1439       -2.4324   -2.3542        7.6151    7.5203
 6     16.6123   16.5948       -7.5074   -7.5203       -0.0058    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -10.6593  -10.6901        3.4500    3.3911       -1.8473   -1.8558
 2    -37.4220  -37.4270        6.5992    6.5852       -1.8614   -1.8558
 3    -37.4414  -37.4270        3.4065    3.3911       -1.5704   -1.5671
 4     -3.1773   -3.1941       26.7671   26.7369       20.4857   20.5378
 5      0.3143    0.2887       32.3115   32.3149      -26.7173  -26.7369
 6    -52.8969  -52.8527       -0.3836   -0.2887        3.3283    3.1941
 Full mass-weighted force constant matrix:
 Low frequencies ---  -10.6347   -7.7866   -0.0011    0.0003    0.0004    3.9761
 Low frequencies ---   56.7213   83.2177  184.4170
 Diagonal vibrational polarizability:
       22.1512913      14.3772525      19.8281115
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     56.6886                83.2172               184.4165
 Red. masses --      4.8505                 2.7862                 3.4542
 Frc consts  --      0.0092                 0.0114                 0.0692
 IR Inten    --      0.6144                 3.1886                 7.5720
 RamAct Fr= 1--      0.9095                 0.5445                 0.4643
  Dep-P Fr= 1--      0.7435                 0.7311                 0.6928
  Dep-U Fr= 1--      0.8529                 0.8446                 0.8185
 Alpha2 Fr= 1--      0.0001                 0.0002                 0.0005
 Beta2  Fr= 1--      0.1293                 0.0767                 0.0633
 AlphaG Fr= 1--     -0.0007                -0.0009                 0.0013
 Gamma2 Fr= 1--      0.1936                 0.2674                 0.2894
 Delta2 Fr= 1--      0.1013                 0.1806                 0.0531
 Raman1 Fr= 1--       3.638                  2.178                  1.857
 ROA1   Fr= 1--      21.824                 31.452                 29.486
 CID1   Fr= 1--       5.999                 14.440                 15.877
 Raman2 Fr= 1--       1.552                  0.920                  0.760
 ROA2   Fr= 1--       3.835                  4.973                  6.521
 CID2   Fr= 1--       2.472                  5.406                  8.580
 Raman3 Fr= 1--       3.103                  1.840                  1.520
 ROA3   Fr= 1--      21.824                 31.452                 29.486
 CID3   Fr= 1--       7.033                 17.096                 19.398
 RC180  Fr= 1--       0.706                  0.689                  0.637
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.06   0.05    -0.03  -0.14  -0.15     0.03  -0.15  -0.03
     2   6    -0.02   0.00   0.04    -0.01  -0.01   0.06    -0.07   0.05  -0.07
     3   6    -0.00  -0.00  -0.07     0.00   0.02   0.07    -0.01   0.14  -0.04
     4   6     0.01  -0.01  -0.03    -0.01   0.00  -0.04     0.07   0.02   0.01
     5   8     0.13  -0.13   0.31    -0.05  -0.02  -0.07     0.00  -0.09   0.03
     6   6    -0.10   0.12   0.08     0.12   0.16   0.10    -0.21   0.01  -0.07
     7   7     0.01   0.03  -0.13    -0.03  -0.03   0.15    -0.04   0.09   0.04
     8   8    -0.06   0.06  -0.26     0.01   0.02  -0.12     0.23  -0.02   0.09
     9   1     0.03  -0.09  -0.09     0.04   0.08   0.09    -0.03   0.20  -0.03
    10   1    -0.01  -0.04   0.11    -0.12  -0.06   0.18    -0.18   0.08  -0.08
    11   1     0.15  -0.15   0.34    -0.05  -0.04   0.02    -0.11  -0.03   0.01
    12   1     0.27   0.16  -0.26    -0.07  -0.09   0.17    -0.10   0.02   0.07
    13   1    -0.27   0.08  -0.30    -0.01   0.01   0.22     0.01   0.12   0.12
    14   1    -0.12   0.16   0.08     0.08   0.36   0.28    -0.35   0.28  -0.09
    15   1    -0.12   0.11   0.17     0.02   0.04   0.08    -0.43  -0.25  -0.06
    16   1    -0.11   0.16   0.03     0.35   0.21  -0.04     0.05  -0.06  -0.07
    17   1     0.07  -0.16   0.03    -0.10  -0.33  -0.19     0.12  -0.21  -0.05
    18   1    -0.01  -0.01  -0.03     0.04  -0.04  -0.34     0.13  -0.15  -0.07
    19   1    -0.00  -0.05   0.16    -0.04  -0.13  -0.09    -0.08  -0.27   0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    223.9321               246.5923               270.7235
 Red. masses --      1.1411                 1.0783                 1.9389
 Frc consts  --      0.0337                 0.0386                 0.0837
 IR Inten    --      0.8081                 0.2752                 4.9524
 RamAct Fr= 1--      0.0893                 0.0810                 0.3603
  Dep-P Fr= 1--      0.6362                 0.5143                 0.2602
  Dep-U Fr= 1--      0.7777                 0.6792                 0.4130
 Alpha2 Fr= 1--      0.0002                 0.0004                 0.0041
 Beta2  Fr= 1--      0.0116                 0.0092                 0.0248
 AlphaG Fr= 1--      0.0006                -0.0012                 0.0013
 Gamma2 Fr= 1--     -0.0069                -0.0217                -0.2255
 Delta2 Fr= 1--      0.0080                 0.0190                -0.0704
 Raman1 Fr= 1--       0.357                  0.324                  1.441
 ROA1   Fr= 1--      -0.408                 -1.471                -23.901
 CID1   Fr= 1--      -1.140                 -4.541                -16.586
 Raman2 Fr= 1--       0.139                  0.110                  0.298
 ROA2   Fr= 1--      -0.230                 -0.673                 -4.848
 CID2   Fr= 1--      -1.657                 -6.112                -16.294
 Raman3 Fr= 1--       0.278                  0.220                  0.595
 ROA3   Fr= 1--      -0.408                 -1.471                -23.901
 CID3   Fr= 1--      -1.466                 -6.685                -40.164
 RC180  Fr= 1--       0.555                  0.358                 -0.174
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.03     0.01   0.01   0.04     0.02   0.04  -0.00
     2   6     0.01  -0.00  -0.02     0.00   0.00   0.00     0.01  -0.00  -0.07
     3   6     0.00  -0.02  -0.02    -0.01  -0.01  -0.00     0.01  -0.03  -0.07
     4   6    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.00  -0.02  -0.03
     5   8     0.02   0.02   0.00    -0.01  -0.00   0.00     0.07   0.02   0.03
     6   6    -0.00  -0.01  -0.02     0.04   0.01   0.00    -0.11   0.15  -0.02
     7   7     0.01  -0.04   0.01    -0.01   0.01  -0.03     0.04  -0.11   0.06
     8   8    -0.04  -0.01   0.02    -0.02  -0.01  -0.01    -0.06  -0.03   0.03
     9   1    -0.01  -0.00  -0.02    -0.00  -0.03  -0.01    -0.01   0.07  -0.05
    10   1     0.05  -0.00  -0.03     0.01   0.01  -0.00     0.08  -0.04  -0.02
    11   1     0.05   0.01  -0.00    -0.01  -0.00  -0.01     0.08   0.03  -0.07
    12   1     0.01  -0.07   0.01    -0.03   0.02  -0.02    -0.29  -0.36   0.21
    13   1     0.02  -0.03   0.03     0.01  -0.01  -0.04     0.43  -0.17   0.33
    14   1    -0.14   0.33   0.08    -0.08   0.35   0.15    -0.11   0.13  -0.07
    15   1    -0.25  -0.30  -0.08    -0.20  -0.29  -0.09    -0.08   0.23   0.17
    16   1     0.37  -0.07  -0.06     0.45  -0.04  -0.06    -0.23   0.24  -0.10
    17   1     0.16  -0.27  -0.06    -0.09   0.40   0.13     0.01   0.20   0.04
    18   1    -0.27   0.27  -0.21     0.20  -0.21   0.33     0.05  -0.06   0.14
    19   1     0.09   0.26   0.41    -0.05  -0.14  -0.31     0.01  -0.00  -0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    292.1084               311.5377               363.4823
 Red. masses --      1.4215                 2.8254                 3.3522
 Frc consts  --      0.0715                 0.1616                 0.2609
 IR Inten    --     13.1367                 7.1082                 9.8872
 RamAct Fr= 1--      0.5382                 0.7481                 0.7959
  Dep-P Fr= 1--      0.2483                 0.3436                 0.4006
  Dep-U Fr= 1--      0.3978                 0.5115                 0.5720
 Alpha2 Fr= 1--      0.0064                 0.0067                 0.0059
 Beta2  Fr= 1--      0.0357                 0.0638                 0.0759
 AlphaG Fr= 1--      0.0115                -0.0036                 0.0026
 Gamma2 Fr= 1--     -0.2165                 0.2529                -0.2877
 Delta2 Fr= 1--     -0.1193                 0.0269                -0.0507
 Raman1 Fr= 1--       2.153                  2.993                  3.184
 ROA1   Fr= 1--     -24.607                 25.145                -29.241
 CID1   Fr= 1--     -11.431                  8.403                 -9.185
 Raman2 Fr= 1--       0.428                  0.765                  0.911
 ROA2   Fr= 1--      -4.242                  5.855                 -6.498
 CID2   Fr= 1--      -9.909                  7.651                 -7.137
 Raman3 Fr= 1--       0.856                  1.531                  1.821
 ROA3   Fr= 1--     -24.607                 25.145                -29.241
 CID3   Fr= 1--     -28.738                 16.429                -16.056
 RC180  Fr= 1--      -0.204                  0.023                  0.144
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.02     0.22  -0.11   0.08    -0.05   0.02  -0.10
     2   6    -0.00   0.01  -0.02     0.06   0.07  -0.07     0.02   0.01   0.08
     3   6     0.00  -0.01  -0.00    -0.01   0.03  -0.03     0.04  -0.03  -0.01
     4   6     0.00  -0.02  -0.00    -0.05  -0.02  -0.00     0.07  -0.01  -0.04
     5   8     0.02   0.03  -0.06     0.00   0.03   0.00     0.24   0.12  -0.01
     6   6    -0.07   0.05  -0.00     0.08   0.05  -0.09    -0.05  -0.09   0.07
     7   7     0.06  -0.06   0.10    -0.17  -0.01   0.05    -0.25  -0.02   0.01
     8   8    -0.00  -0.03   0.03    -0.12  -0.02   0.04     0.00  -0.02   0.01
     9   1    -0.02   0.02   0.01    -0.05   0.08  -0.02     0.15  -0.01  -0.00
    10   1     0.01  -0.00  -0.00     0.04   0.08  -0.09    -0.01   0.02   0.08
    11   1     0.15  -0.07   0.15     0.09  -0.01   0.03     0.43   0.08  -0.14
    12   1     0.66   0.06  -0.20    -0.04   0.04  -0.01    -0.36   0.05   0.07
    13   1    -0.56   0.14  -0.17    -0.42   0.13   0.03    -0.33   0.09   0.09
    14   1    -0.10   0.09  -0.04     0.13  -0.04  -0.09    -0.11  -0.06  -0.04
    15   1    -0.10   0.02   0.06     0.15   0.13  -0.10    -0.12  -0.18   0.05
    16   1    -0.07   0.05  -0.01     0.00   0.06  -0.08    -0.03  -0.17   0.17
    17   1    -0.07   0.12   0.00     0.49  -0.16   0.05    -0.29   0.01  -0.09
    18   1     0.02  -0.02   0.04     0.29  -0.13   0.09     0.02   0.04  -0.16
    19   1    -0.01   0.01  -0.12     0.06  -0.26   0.28     0.00   0.05  -0.28
                     10                     11                     12
                      A                      A                      A
 Frequencies --    413.8798               520.2719               545.0772
 Red. masses --      2.7281                 4.4491                 3.9565
 Frc consts  --      0.2753                 0.7095                 0.6926
 IR Inten    --      1.5002                 1.9851                 2.9371
 RamAct Fr= 1--      2.1808                 1.9147                 2.2889
  Dep-P Fr= 1--      0.0874                 0.5909                 0.5343
  Dep-U Fr= 1--      0.1608                 0.7429                 0.6965
 Alpha2 Fr= 1--      0.0394                 0.0057                 0.0095
 Beta2  Fr= 1--      0.0584                 0.2371                 0.2657
 AlphaG Fr= 1--     -0.0121                -0.0081                 0.0199
 Gamma2 Fr= 1--     -0.2611                 0.7912                -0.9038
 Delta2 Fr= 1--     -0.0293                 0.0409                 0.0270
 Raman1 Fr= 1--       8.723                  7.659                  9.156
 ROA1   Fr= 1--     -25.999                 77.263                -85.900
 CID1   Fr= 1--      -2.980                 10.088                 -9.382
 Raman2 Fr= 1--       0.701                  2.845                  3.188
 ROA2   Fr= 1--      -6.031                 18.662                -21.908
 CID2   Fr= 1--      -8.601                  6.560                 -6.871
 Raman3 Fr= 1--       1.402                  5.689                  6.377
 ROA3   Fr= 1--     -25.999                 77.263                -85.900
 CID3   Fr= 1--     -18.538                 13.580                -13.471
 RC180  Fr= 1--      -0.678                  0.486                  0.393
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.16   0.05  -0.14     0.05   0.00  -0.01    -0.07  -0.03   0.04
     2   6     0.16   0.08   0.05     0.09  -0.19  -0.10    -0.06  -0.02  -0.08
     3   6     0.05  -0.02   0.10    -0.01  -0.16   0.11    -0.00  -0.01   0.24
     4   6    -0.01  -0.05   0.07     0.02   0.08   0.20     0.07  -0.17   0.16
     5   8    -0.09  -0.05  -0.01    -0.11   0.11   0.03     0.14   0.02  -0.09
     6   6    -0.12  -0.04   0.04    -0.04   0.04  -0.06    -0.03   0.06  -0.13
     7   7     0.03   0.05  -0.02    -0.14  -0.13  -0.05     0.04   0.18   0.02
     8   8    -0.11  -0.00  -0.02     0.19   0.15  -0.08    -0.08  -0.09  -0.10
     9   1    -0.02  -0.07   0.09    -0.20  -0.24   0.09    -0.23  -0.01   0.24
    10   1     0.18   0.09   0.02     0.12  -0.17  -0.12    -0.18   0.04  -0.14
    11   1    -0.17  -0.02  -0.00    -0.05   0.09   0.05     0.22   0.00  -0.18
    12   1    -0.06   0.13   0.03    -0.18   0.09  -0.01    -0.13   0.42   0.12
    13   1     0.14  -0.04  -0.06    -0.28  -0.10  -0.13     0.21  -0.05  -0.16
    14   1    -0.29   0.08  -0.27    -0.13   0.21  -0.07    -0.02   0.11  -0.03
    15   1    -0.29  -0.21   0.20    -0.10   0.04   0.29    -0.01   0.11  -0.01
    16   1    -0.17  -0.14   0.19    -0.11   0.22  -0.28    -0.05   0.18  -0.28
    17   1    -0.03  -0.06  -0.16     0.09   0.12   0.01     0.08   0.02   0.05
    18   1     0.32   0.10  -0.28    -0.15  -0.02   0.11    -0.18  -0.05   0.13
    19   1     0.15   0.01  -0.26     0.16   0.13  -0.02    -0.07  -0.01   0.16
                     13                     14                     15
                      A                      A                      A
 Frequencies --    608.0886               734.0025               810.7170
 Red. masses --      2.6355                 6.0022                 2.4912
 Frc consts  --      0.5742                 1.9053                 0.9647
 IR Inten    --      9.9354                 8.8088                35.9143
 RamAct Fr= 1--      1.3452                 8.1717                 3.3463
  Dep-P Fr= 1--      0.1414                 0.0300                 0.0696
  Dep-U Fr= 1--      0.2478                 0.0582                 0.1301
 Alpha2 Fr= 1--      0.0213                 0.1693                 0.0631
 Beta2  Fr= 1--      0.0556                 0.0792                 0.0726
 AlphaG Fr= 1--      0.0177                 0.0214                -0.0697
 Gamma2 Fr= 1--      0.2164                -0.6667                 0.0363
 Delta2 Fr= 1--      0.1624                -0.1655                 0.0241
 Raman1 Fr= 1--       5.381                 32.687                 13.385
 ROA1   Fr= 1--      25.970                -69.295                  4.260
 CID1   Fr= 1--       4.826                 -2.120                  0.318
 Raman2 Fr= 1--       0.667                  0.951                  0.871
 ROA2   Fr= 1--       3.894                -14.676                  0.680
 CID2   Fr= 1--       5.841                -15.438                  0.781
 Raman3 Fr= 1--       1.333                  1.901                  1.741
 ROA3   Fr= 1--      25.970                -69.295                  4.260
 CID3   Fr= 1--      19.479                -36.445                  2.446
 RC180  Fr= 1--      -0.504                 -0.884                 -0.740
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.00    -0.12  -0.03   0.05     0.07   0.01  -0.04
     2   6    -0.07   0.21   0.05    -0.06   0.14   0.04    -0.01  -0.08  -0.07
     3   6    -0.14  -0.06   0.01     0.12  -0.01  -0.03    -0.10   0.05  -0.14
     4   6    -0.04  -0.06   0.10     0.32   0.06   0.22     0.07  -0.04   0.14
     5   8     0.01   0.11   0.00     0.05  -0.19  -0.14     0.03  -0.01  -0.07
     6   6    -0.00   0.01   0.00    -0.02   0.05  -0.06     0.00  -0.06   0.15
     7   7     0.03  -0.10  -0.03    -0.04  -0.18  -0.07    -0.07   0.11   0.04
     8   8     0.10  -0.03  -0.08    -0.15   0.23   0.05    -0.02   0.03  -0.02
     9   1    -0.31  -0.15  -0.01    -0.05  -0.16  -0.06    -0.38   0.04  -0.15
    10   1     0.04   0.16   0.08    -0.07   0.12   0.07    -0.03  -0.11  -0.01
    11   1     0.21   0.04  -0.02    -0.39  -0.07   0.13     0.04  -0.09   0.27
    12   1     0.13  -0.25  -0.09    -0.10  -0.19  -0.04     0.34  -0.33  -0.18
    13   1     0.23  -0.23  -0.04    -0.21  -0.00   0.05     0.33  -0.07   0.11
    14   1     0.04  -0.11  -0.05     0.04  -0.08  -0.08     0.04  -0.06   0.26
    15   1     0.01  -0.04  -0.29     0.01   0.02  -0.35     0.04  -0.01   0.16
    16   1     0.07  -0.19   0.25     0.06  -0.11   0.12     0.03  -0.01   0.09
    17   1     0.10  -0.15  -0.04    -0.11  -0.11   0.03     0.12   0.14  -0.02
    18   1     0.34   0.01  -0.12     0.04  -0.02  -0.02    -0.12  -0.01   0.06
    19   1    -0.20  -0.25   0.08    -0.23  -0.16   0.07     0.19   0.15  -0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    840.2984               876.6753               901.0411
 Red. masses --      2.1115                 1.2958                 1.8198
 Frc consts  --      0.8784                 0.5868                 0.8705
 IR Inten    --     49.1301                70.6109                59.7516
 RamAct Fr= 1--      4.1243                 1.3160                 2.8804
  Dep-P Fr= 1--      0.0271                 0.5206                 0.7119
  Dep-U Fr= 1--      0.0528                 0.6847                 0.8317
 Alpha2 Fr= 1--      0.0860                 0.0059                 0.0019
 Beta2  Fr= 1--      0.0363                 0.1502                 0.3993
 AlphaG Fr= 1--      0.0178                 0.0408                -0.0036
 Gamma2 Fr= 1--     -0.1751                -0.4471                -0.0345
 Delta2 Fr= 1--      0.0551                -0.2845                -0.0684
 Raman1 Fr= 1--      16.497                  5.264                 11.522
 ROA1   Fr= 1--     -15.042                -52.022                 -5.504
 CID1   Fr= 1--      -0.912                 -9.883                 -0.478
 Raman2 Fr= 1--       0.435                  1.802                  4.791
 ROA2   Fr= 1--      -4.642                 -8.453                 -0.282
 CID2   Fr= 1--     -10.664                 -4.690                 -0.059
 Raman3 Fr= 1--       0.871                  3.604                  9.582
 ROA3   Fr= 1--     -15.042                -52.022                 -5.504
 CID3   Fr= 1--     -17.275                -14.433                 -0.574
 RC180  Fr= 1--      -0.894                  0.369                  0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.00    -0.04  -0.03   0.04     0.07   0.06  -0.07
     2   6    -0.00   0.01  -0.02     0.05   0.01   0.04    -0.10   0.01  -0.06
     3   6     0.08   0.10  -0.11     0.06  -0.00  -0.03    -0.05   0.01   0.09
     4   6    -0.02  -0.10   0.15    -0.02  -0.02   0.01    -0.01   0.04  -0.06
     5   8    -0.07   0.06   0.02    -0.04   0.04  -0.03     0.03  -0.03  -0.04
     6   6    -0.01  -0.01   0.05     0.01   0.02  -0.06    -0.03  -0.05   0.09
     7   7     0.10  -0.03  -0.04    -0.02   0.04  -0.02     0.06  -0.07  -0.06
     8   8     0.00  -0.05  -0.06     0.01  -0.03   0.00    -0.00   0.02   0.03
     9   1    -0.06   0.09  -0.11     0.08  -0.06  -0.03    -0.09   0.06   0.10
    10   1    -0.07  -0.01   0.03     0.05  -0.00   0.04    -0.15   0.06  -0.11
    11   1     0.07   0.05  -0.20     0.30  -0.28   0.82     0.19  -0.21   0.53
    12   1    -0.43   0.03   0.21    -0.09  -0.07   0.01    -0.41   0.20   0.18
    13   1    -0.46   0.50   0.27     0.15   0.03   0.11    -0.17   0.07  -0.04
    14   1     0.04  -0.07   0.09    -0.03   0.03  -0.16     0.04  -0.04   0.29
    15   1     0.02  -0.01  -0.05    -0.02  -0.01  -0.04     0.05   0.03   0.08
    16   1     0.03  -0.05   0.08    -0.02  -0.01  -0.01     0.03   0.05  -0.05
    17   1    -0.05   0.05   0.02    -0.18  -0.07   0.04     0.32   0.11  -0.07
    18   1    -0.14  -0.01   0.04    -0.04   0.00  -0.02     0.08  -0.01   0.03
    19   1     0.08   0.08  -0.04    -0.00   0.01  -0.04    -0.03  -0.04   0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    937.7901               971.2686               998.8809
 Red. masses --      1.1897                 1.4691                 2.0701
 Frc consts  --      0.6165                 0.8165                 1.2169
 IR Inten    --      1.4996                 1.6942                59.9589
 RamAct Fr= 1--      0.4114                 2.3179                 1.4577
  Dep-P Fr= 1--      0.5365                 0.7473                 0.6424
  Dep-U Fr= 1--      0.6983                 0.8554                 0.7822
 Alpha2 Fr= 1--      0.0017                 0.0001                 0.0028
 Beta2  Fr= 1--      0.0479                 0.3304                 0.1900
 AlphaG Fr= 1--      0.0015                -0.0003                -0.0162
 Gamma2 Fr= 1--      0.0417                 0.1798                 1.1177
 Delta2 Fr= 1--      0.1279                -0.0237                 0.8096
 Raman1 Fr= 1--       1.646                  9.272                  5.831
 ROA1   Fr= 1--       8.101                 16.505                133.205
 CID1   Fr= 1--       4.923                  1.780                 22.845
 Raman2 Fr= 1--       0.575                  3.965                  2.281
 ROA2   Fr= 1--      -0.022                  4.506                 20.348
 CID2   Fr= 1--      -0.038                  1.136                  8.922
 Raman3 Fr= 1--       1.149                  7.931                  4.561
 ROA3   Fr= 1--       8.101                 16.505                133.205
 CID3   Fr= 1--       7.050                  2.081                 29.204
 RC180  Fr= 1--       0.397                  0.711                  0.564
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04   0.06    -0.12   0.02   0.02    -0.03   0.04  -0.07
     2   6    -0.02  -0.02   0.03     0.07   0.03  -0.06    -0.07   0.05  -0.04
     3   6     0.00   0.01  -0.02    -0.03   0.01  -0.03     0.22   0.00   0.01
     4   6     0.01  -0.01   0.02     0.00   0.00   0.01     0.03  -0.05   0.02
     5   8    -0.00   0.00  -0.00     0.01  -0.01  -0.01    -0.08   0.06   0.04
     6   6    -0.05  -0.06  -0.03     0.09  -0.06   0.05    -0.03  -0.04   0.05
     7   7     0.00   0.01   0.00     0.02   0.01   0.00    -0.08  -0.02  -0.00
     8   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.04  -0.02
     9   1     0.02  -0.00  -0.02    -0.08   0.01  -0.03     0.48  -0.03   0.00
    10   1     0.18   0.13  -0.26     0.26   0.08  -0.21    -0.27   0.18  -0.18
    11   1    -0.00   0.00  -0.01     0.00  -0.00  -0.01    -0.03   0.04   0.02
    12   1     0.01  -0.02  -0.00    -0.05  -0.01   0.03     0.26  -0.10  -0.16
    13   1    -0.01   0.02   0.02    -0.06   0.10   0.06     0.22  -0.23  -0.06
    14   1     0.08   0.02   0.42    -0.12   0.18  -0.18     0.02   0.01   0.24
    15   1     0.12   0.16   0.02    -0.06  -0.11   0.56     0.05   0.06   0.09
    16   1     0.09   0.20  -0.41    -0.15   0.09  -0.06     0.01   0.07  -0.11
    17   1    -0.33  -0.25   0.01     0.11  -0.13  -0.03     0.35   0.11  -0.07
    18   1     0.34   0.16  -0.27     0.20  -0.05   0.00     0.02  -0.07   0.10
    19   1    -0.01  -0.06  -0.18    -0.42  -0.31   0.17    -0.19  -0.10   0.18
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1036.9251              1085.8003              1163.0615
 Red. masses --      1.9089                 1.5880                 1.9981
 Frc consts  --      1.2093                 1.1030                 1.5925
 IR Inten    --      6.7725                 8.3868                 2.8017
 RamAct Fr= 1--      4.2692                 2.8464                 1.9823
  Dep-P Fr= 1--      0.3770                 0.7264                 0.4544
  Dep-U Fr= 1--      0.5476                 0.8415                 0.6249
 Alpha2 Fr= 1--      0.0343                 0.0012                 0.0119
 Beta2  Fr= 1--      0.3896                 0.3992                 0.2065
 AlphaG Fr= 1--     -0.0062                -0.0038                -0.0017
 Gamma2 Fr= 1--     -0.1264                 0.4103                 0.8554
 Delta2 Fr= 1--     -0.5556                 0.3426                 0.2601
 Raman1 Fr= 1--      17.077                 11.385                  7.929
 ROA1   Fr= 1--     -29.908                 50.353                 90.446
 CID1   Fr= 1--      -1.751                  4.423                 11.407
 Raman2 Fr= 1--       4.676                  4.791                  2.477
 ROA2   Fr= 1--       1.412                  7.107                 18.450
 CID2   Fr= 1--       0.302                  1.484                  7.447
 Raman3 Fr= 1--       9.351                  9.581                  4.955
 ROA3   Fr= 1--     -29.908                 50.353                 90.446
 CID3   Fr= 1--      -3.198                  5.255                 18.254
 RC180  Fr= 1--       0.095                  0.683                  0.250
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07   0.03    -0.05  -0.04   0.05    -0.03  -0.11  -0.01
     2   6     0.03   0.06   0.03     0.08   0.02  -0.13     0.08   0.16  -0.07
     3   6    -0.04   0.18   0.07     0.04   0.03   0.01     0.03  -0.13   0.03
     4   6    -0.00  -0.01  -0.00     0.04  -0.01  -0.04    -0.07   0.04  -0.04
     5   8     0.01   0.01  -0.00    -0.03   0.03   0.02     0.02  -0.03  -0.00
     6   6     0.06  -0.05  -0.02    -0.03   0.03   0.09    -0.05  -0.03   0.05
     7   7    -0.01  -0.12  -0.07    -0.02  -0.05   0.01     0.01   0.05   0.01
     8   8    -0.01  -0.02  -0.00    -0.01  -0.02  -0.00     0.01   0.03   0.02
     9   1    -0.05   0.14   0.06    -0.26   0.47   0.10    -0.18  -0.44  -0.04
    10   1    -0.38   0.25  -0.14     0.28  -0.01  -0.15     0.01   0.31  -0.28
    11   1    -0.00   0.01  -0.01    -0.05   0.02   0.08     0.07  -0.03  -0.09
    12   1     0.11  -0.22  -0.14    -0.02   0.31   0.04     0.02  -0.18  -0.01
    13   1     0.06  -0.18  -0.09     0.08  -0.32  -0.29    -0.04   0.23   0.21
    14   1    -0.09   0.17  -0.12     0.07  -0.14   0.14     0.04  -0.02   0.27
    15   1    -0.01  -0.03   0.42     0.02   0.01  -0.22     0.09   0.11  -0.01
    16   1    -0.12   0.12  -0.16     0.10  -0.11   0.23     0.09   0.03  -0.06
    17   1    -0.25   0.04   0.07    -0.23  -0.10   0.04    -0.13   0.12   0.05
    18   1    -0.23   0.02  -0.00    -0.07   0.01  -0.03    -0.40  -0.08   0.10
    19   1     0.29   0.23  -0.12    -0.00  -0.01  -0.07     0.15   0.13   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1200.1039              1204.6202              1218.4120
 Red. masses --      1.9731                 2.0581                 2.4615
 Frc consts  --      1.6743                 1.7596                 2.1529
 IR Inten    --     11.3107                 5.1388                13.8535
 RamAct Fr= 1--      1.3530                 2.6201                 4.7282
  Dep-P Fr= 1--      0.7105                 0.7488                 0.1899
  Dep-U Fr= 1--      0.8308                 0.8563                 0.3192
 Alpha2 Fr= 1--      0.0009                 0.0001                 0.0659
 Beta2  Fr= 1--      0.1873                 0.3740                 0.2515
 AlphaG Fr= 1--      0.0052                 0.0001                 0.0134
 Gamma2 Fr= 1--     -1.4362                 0.2530                 0.2651
 Delta2 Fr= 1--     -0.3220                -0.4743                 0.3316
 Raman1 Fr= 1--       5.412                 10.481                 18.913
 ROA1   Fr= 1--    -148.178                  9.113                 36.058
 CID1   Fr= 1--     -27.379                  0.869                  1.907
 Raman2 Fr= 1--       2.248                  4.487                  3.018
 ROA2   Fr= 1--     -31.892                  9.867                  3.709
 CID2   Fr= 1--     -14.186                  2.199                  1.229
 Raman3 Fr= 1--       4.496                  8.975                  6.037
 ROA3   Fr= 1--    -148.178                  9.113                 36.058
 CID3   Fr= 1--     -32.957                  1.015                  5.973
 RC180  Fr= 1--       0.662                  0.713                 -0.362
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.03    -0.03  -0.05  -0.08     0.06   0.00   0.06
     2   6    -0.11   0.08  -0.02     0.07   0.09   0.14    -0.11   0.01  -0.07
     3   6     0.02  -0.12  -0.14    -0.09  -0.02  -0.08    -0.03  -0.09   0.01
     4   6    -0.07   0.01   0.07     0.12  -0.03  -0.03     0.22  -0.03  -0.12
     5   8     0.01  -0.04  -0.02    -0.03   0.05   0.02    -0.06   0.10   0.06
     6   6     0.08  -0.02   0.01    -0.04  -0.08  -0.06     0.06   0.02   0.03
     7   7     0.01   0.01   0.08     0.02  -0.01   0.04     0.02   0.04   0.02
     8   8     0.02   0.05   0.00    -0.01  -0.02  -0.01    -0.02  -0.07  -0.01
     9   1     0.23   0.20  -0.07    -0.06   0.14  -0.05    -0.17  -0.36  -0.06
    10   1    -0.21   0.11  -0.04     0.22  -0.01   0.26    -0.25   0.07  -0.12
    11   1     0.18  -0.08  -0.05    -0.24   0.09   0.15    -0.48   0.20   0.24
    12   1    -0.12   0.52   0.18    -0.11   0.30   0.13    -0.07  -0.03   0.05
    13   1     0.08  -0.27  -0.26    -0.03  -0.15  -0.18    -0.11   0.16   0.09
    14   1    -0.07   0.12  -0.15    -0.01   0.07   0.20    -0.04   0.06  -0.18
    15   1    -0.05  -0.11   0.25     0.11   0.11   0.06    -0.08  -0.12   0.13
    16   1    -0.17   0.04  -0.00     0.03   0.16  -0.40    -0.13  -0.04   0.16
    17   1    -0.17   0.01   0.05     0.21   0.20  -0.03    -0.21  -0.07   0.05
    18   1    -0.06   0.08  -0.09    -0.25  -0.15   0.20     0.04   0.12  -0.15
    19   1     0.18   0.11  -0.13     0.02   0.06   0.17     0.12   0.04  -0.16
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1283.0620              1354.2961              1370.4179
 Red. masses --      1.3086                 1.4808                 1.3611
 Frc consts  --      1.2693                 1.6002                 1.5061
 IR Inten    --      0.4390                 0.2728                 1.1677
 RamAct Fr= 1--      4.3524                 4.3474                 4.8477
  Dep-P Fr= 1--      0.6393                 0.6243                 0.7368
  Dep-U Fr= 1--      0.7799                 0.7687                 0.8484
 Alpha2 Fr= 1--      0.0087                 0.0100                 0.0011
 Beta2  Fr= 1--      0.5658                 0.5570                 0.6855
 AlphaG Fr= 1--      0.0019                 0.0170                -0.0027
 Gamma2 Fr= 1--     -0.4364                -0.7057                -0.2621
 Delta2 Fr= 1--     -0.8004                -0.8189                -0.4741
 Raman1 Fr= 1--      17.410                 17.390                 19.391
 ROA1   Fr= 1--     -67.507                -93.953                -40.328
 CID1   Fr= 1--      -3.878                 -5.403                 -2.080
 Raman2 Fr= 1--       6.789                  6.684                  8.226
 ROA2   Fr= 1--      -4.071                -10.386                 -2.497
 CID2   Fr= 1--      -0.600                 -1.554                 -0.304
 Raman3 Fr= 1--      13.578                 13.368                 16.452
 ROA3   Fr= 1--     -67.507                -93.953                -40.328
 CID3   Fr= 1--      -4.972                 -7.028                 -2.451
 RC180  Fr= 1--       0.560                  0.537                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.00     0.03  -0.05  -0.03     0.02   0.01   0.04
     2   6     0.02  -0.01  -0.03    -0.17   0.03   0.02     0.02   0.08  -0.12
     3   6    -0.14   0.02   0.01     0.06   0.01   0.05    -0.02  -0.05   0.04
     4   6     0.03  -0.02   0.05    -0.00  -0.00  -0.01    -0.00  -0.00   0.01
     5   8     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.01   0.00  -0.00
     6   6    -0.01   0.04   0.02     0.04  -0.01  -0.01    -0.01  -0.05  -0.02
     7   7     0.01  -0.00  -0.00    -0.02   0.00  -0.03    -0.00   0.02  -0.03
     8   8    -0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     9   1     0.83  -0.09   0.00    -0.09   0.15   0.08     0.31   0.27   0.12
    10   1     0.27   0.12  -0.32     0.85  -0.13  -0.03    -0.08  -0.39   0.65
    11   1    -0.10   0.03   0.07     0.01  -0.00  -0.01    -0.08   0.03   0.03
    12   1    -0.04  -0.03   0.02     0.07  -0.13  -0.08     0.03  -0.18  -0.06
    13   1    -0.04   0.00  -0.03     0.00   0.09   0.11    -0.03   0.12   0.09
    14   1     0.04  -0.07   0.02    -0.04   0.11  -0.03     0.01   0.06   0.20
    15   1    -0.03  -0.01  -0.06    -0.03  -0.07   0.07     0.05   0.06   0.18
    16   1     0.05  -0.07   0.15    -0.15   0.02   0.01    -0.00  -0.03  -0.04
    17   1    -0.00   0.03   0.01     0.02   0.17   0.02    -0.14  -0.05   0.03
    18   1    -0.10  -0.02   0.01    -0.11  -0.00  -0.04    -0.06   0.08  -0.06
    19   1     0.06   0.04  -0.03     0.14   0.10   0.01    -0.06  -0.09  -0.07
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1402.7396              1406.8571              1413.4348
 Red. masses --      1.3086                 1.2435                 1.5704
 Frc consts  --      1.5171                 1.4501                 1.8485
 IR Inten    --      8.6364                 5.8646               418.8900
 RamAct Fr= 1--      1.5424                 0.2509                 3.5469
  Dep-P Fr= 1--      0.6031                 0.5286                 0.1919
  Dep-U Fr= 1--      0.7524                 0.6916                 0.3219
 Alpha2 Fr= 1--      0.0042                 0.0011                 0.0492
 Beta2  Fr= 1--      0.1934                 0.0289                 0.1903
 AlphaG Fr= 1--     -0.0037                 0.0008                -0.0205
 Gamma2 Fr= 1--      1.2498                 0.0065                -0.0042
 Delta2 Fr= 1--      0.4226                -0.0203                -0.0262
 Raman1 Fr= 1--       6.169                  1.004                 14.187
 ROA1   Fr= 1--     133.506                 -0.028                 -1.245
 CID1   Fr= 1--      21.640                 -0.028                 -0.088
 Raman2 Fr= 1--       2.321                  0.347                  2.284
 ROA2   Fr= 1--      26.616                  0.319                  0.108
 CID2   Fr= 1--      11.467                  0.918                  0.047
 Raman3 Fr= 1--       4.642                  0.694                  4.567
 ROA3   Fr= 1--     133.506                 -0.028                 -1.245
 CID3   Fr= 1--      28.760                 -0.040                 -0.273
 RC180  Fr= 1--       0.505                  0.383                 -0.356
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.03    -0.09  -0.04   0.04    -0.02  -0.01   0.01
     2   6     0.01  -0.02   0.07     0.01   0.01  -0.02     0.00   0.01  -0.01
     3   6    -0.02  -0.12   0.00    -0.01  -0.03   0.01    -0.05  -0.01   0.02
     4   6     0.02  -0.01   0.00    -0.01   0.00   0.01     0.14  -0.04  -0.06
     5   8    -0.01   0.00   0.00     0.01   0.00  -0.00    -0.11  -0.01   0.03
     6   6     0.01   0.02   0.01     0.00  -0.03   0.09    -0.00  -0.00  -0.01
     7   7     0.01   0.03  -0.05     0.00   0.00  -0.01     0.01   0.02  -0.00
     8   8     0.00   0.01   0.00     0.00  -0.01  -0.00    -0.02   0.05   0.02
     9   1    -0.01   0.75   0.20     0.06   0.13   0.04     0.06   0.00   0.02
    10   1    -0.18   0.23  -0.29    -0.05  -0.02   0.05     0.00  -0.02   0.04
    11   1    -0.02   0.01  -0.00    -0.10   0.04   0.04     0.81  -0.30  -0.38
    12   1     0.06  -0.22  -0.10     0.02  -0.05  -0.02    -0.01  -0.08  -0.00
    13   1    -0.04   0.21   0.17    -0.01   0.06   0.06     0.01  -0.00  -0.02
    14   1    -0.01  -0.02  -0.08    -0.18   0.04  -0.34     0.01   0.01   0.04
    15   1    -0.02  -0.02  -0.07     0.12   0.03  -0.33     0.00   0.01   0.04
    16   1    -0.01   0.02  -0.00     0.04   0.23  -0.29     0.00  -0.03   0.04
    17   1    -0.10  -0.03  -0.02     0.39   0.13   0.04     0.10   0.03   0.01
    18   1    -0.09  -0.04   0.11     0.34   0.05  -0.25     0.10   0.01  -0.07
    19   1    -0.07  -0.07   0.11     0.24   0.29  -0.19     0.08   0.10  -0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1428.2035              1487.3043              1498.4209
 Red. masses --      1.2454                 1.0441                 1.0504
 Frc consts  --      1.4967                 1.3607                 1.3895
 IR Inten    --     10.8866                 0.3416                 3.6108
 RamAct Fr= 1--      0.7317                 6.2968                 1.4556
  Dep-P Fr= 1--      0.1137                 0.7458                 0.7267
  Dep-U Fr= 1--      0.2042                 0.8544                 0.8417
 Alpha2 Fr= 1--      0.0124                 0.0004                 0.0006
 Beta2  Fr= 1--      0.0249                 0.8967                 0.2042
 AlphaG Fr= 1--     -0.0037                 0.0063                 0.0004
 Gamma2 Fr= 1--      0.0484                 0.0382                 0.1938
 Delta2 Fr= 1--      0.1164                 0.1254                -0.1122
 Raman1 Fr= 1--       2.927                 25.187                  5.822
 ROA1   Fr= 1--       8.373                  7.676                 15.018
 CID1   Fr= 1--       2.861                  0.305                  2.579
 Raman2 Fr= 1--       0.299                 10.760                  2.450
 ROA2   Fr= 1--       0.231                 -0.087                  5.550
 CID2   Fr= 1--       0.772                 -0.008                  2.265
 Raman3 Fr= 1--       0.598                 21.520                  4.901
 ROA3   Fr= 1--       8.373                  7.676                 15.018
 CID3   Fr= 1--      14.006                  0.357                  3.064
 RC180  Fr= 1--      -0.592                  0.709                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.03   0.02     0.02  -0.03  -0.00    -0.01  -0.01  -0.04
     2   6     0.01  -0.00   0.02    -0.01  -0.00   0.00     0.02   0.00  -0.03
     3   6     0.01  -0.03  -0.01     0.00  -0.00  -0.00    -0.01   0.00   0.00
     4   6    -0.02   0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8     0.02   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.01   0.03  -0.10    -0.03   0.03   0.01     0.03   0.01   0.01
     7   7     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   8     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1    -0.07   0.14   0.03    -0.01   0.01   0.00     0.05  -0.04  -0.01
    10   1    -0.06   0.07  -0.06    -0.01  -0.02   0.03    -0.05  -0.04   0.06
    11   1    -0.13   0.05   0.06     0.01  -0.00  -0.01    -0.00  -0.00   0.00
    12   1    -0.01   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.02  -0.00
    13   1    -0.02   0.04   0.02    -0.00  -0.01  -0.02     0.00   0.01   0.03
    14   1     0.20  -0.05   0.39     0.13  -0.43  -0.21     0.09  -0.02   0.17
    15   1    -0.11  -0.00   0.38    -0.12  -0.05   0.27    -0.17  -0.25  -0.18
    16   1    -0.01  -0.28   0.33     0.41   0.04  -0.16    -0.33   0.14  -0.07
    17   1     0.33   0.10   0.02    -0.12   0.45   0.12    -0.37   0.15   0.03
    18   1     0.32  -0.01  -0.16     0.00   0.19  -0.34     0.40  -0.15   0.06
    19   1     0.20   0.27  -0.10    -0.11  -0.12   0.24     0.09   0.23   0.53
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1508.9627              1512.1789              1656.6973
 Red. masses --      1.0588                 1.0417                 1.0924
 Frc consts  --      1.4204                 1.4034                 1.7666
 IR Inten    --      7.9895                11.2712                30.6669
 RamAct Fr= 1--      1.8134                 5.5337                 3.0167
  Dep-P Fr= 1--      0.6739                 0.7227                 0.6250
  Dep-U Fr= 1--      0.8052                 0.8390                 0.7693
 Alpha2 Fr= 1--      0.0024                 0.0026                 0.0069
 Beta2  Fr= 1--      0.2434                 0.7738                 0.3868
 AlphaG Fr= 1--     -0.0017                -0.0012                 0.0003
 Gamma2 Fr= 1--     -0.4344                -0.2191                 0.1495
 Delta2 Fr= 1--     -0.3309                 0.1137                -0.0776
 Raman1 Fr= 1--       7.254                 22.135                 12.067
 ROA1   Fr= 1--     -52.290                -17.392                 11.872
 CID1   Fr= 1--      -7.209                 -0.786                  0.984
 Raman2 Fr= 1--       2.920                  9.286                  4.641
 ROA2   Fr= 1--      -7.778                 -6.167                  4.210
 CID2   Fr= 1--      -2.664                 -0.664                  0.907
 Raman3 Fr= 1--       5.840                 18.572                  9.283
 ROA3   Fr= 1--     -52.290                -17.392                 11.872
 CID3   Fr= 1--      -8.953                 -0.937                  1.279
 RC180  Fr= 1--       0.610                  0.678                  0.539
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03   0.02     0.00  -0.01  -0.02     0.00   0.00   0.00
     2   6     0.04  -0.03   0.02    -0.02  -0.02  -0.01     0.00   0.00  -0.00
     3   6    -0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.03   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01  -0.00  -0.01
     5   8     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.02  -0.01  -0.01    -0.02  -0.03  -0.01    -0.00   0.00  -0.00
     7   7    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.03  -0.06  -0.03
     8   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.01   0.00  -0.01     0.01  -0.00  -0.00     0.02  -0.03  -0.01
    10   1    -0.07   0.04  -0.06    -0.01  -0.00  -0.05    -0.01  -0.00   0.01
    11   1     0.00  -0.00   0.00    -0.01   0.00   0.01     0.02  -0.01  -0.02
    12   1    -0.00   0.02   0.00    -0.02   0.01   0.02     0.30   0.63  -0.11
    13   1     0.01  -0.01   0.00    -0.01  -0.01  -0.02     0.29   0.22   0.59
    14   1    -0.08   0.33   0.22    -0.26   0.34  -0.16    -0.00  -0.01  -0.01
    15   1     0.07   0.00  -0.26     0.39   0.46   0.08     0.01   0.02   0.02
    16   1    -0.37  -0.03   0.14     0.26  -0.25   0.23     0.04  -0.02   0.01
    17   1     0.07   0.44   0.11    -0.23   0.12   0.03    -0.00  -0.01   0.00
    18   1    -0.17   0.28  -0.41     0.21  -0.06  -0.00    -0.01   0.00   0.00
    19   1    -0.20  -0.27   0.01     0.04   0.11   0.32    -0.00  -0.01  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1835.0240              3020.2286              3024.9985
 Red. masses --      9.7076                 1.0425                 1.0395
 Frc consts  --     19.2594                 5.6028                 5.6044
 IR Inten    --    289.7659                24.7714                26.6826
 RamAct Fr= 1--     12.2922                32.6464               254.3931
  Dep-P Fr= 1--      0.2874                 0.0628                 0.0040
  Dep-U Fr= 1--      0.4465                 0.1182                 0.0080
 Alpha2 Fr= 1--      0.1309                 0.6254                 5.6006
 Beta2  Fr= 1--      0.9147                 0.6434                 0.3382
 AlphaG Fr= 1--      0.1477                 0.1215                 0.1711
 Gamma2 Fr= 1--      1.4380                 0.1248                -0.2032
 Delta2 Fr= 1--      0.3910                -0.3031                 0.3800
 Raman1 Fr= 1--      49.169                130.586               1017.573
 ROA1   Fr= 1--     150.565                  2.280                 -7.350
 CID1   Fr= 1--       3.062                  0.017                 -0.007
 Raman2 Fr= 1--      10.977                  7.721                  4.058
 ROA2   Fr= 1--      31.384                  5.419                 -7.918
 CID2   Fr= 1--       2.859                  0.702                 -1.951
 Raman3 Fr= 1--      21.954                 15.441                  8.116
 ROA3   Fr= 1--     150.565                  2.280                 -7.350
 CID3   Fr= 1--       6.858                  0.148                 -0.906
 RC180  Fr= 1--      -0.107                 -0.764                 -0.984
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.01   0.01  -0.01    -0.03  -0.03   0.01
     2   6    -0.00   0.01  -0.00     0.00   0.01   0.00     0.00   0.01   0.01
     3   6    -0.02  -0.04  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
     4   6     0.13   0.68   0.19     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   8    -0.04  -0.06  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.01  -0.02  -0.05    -0.00  -0.01  -0.02
     7   7    -0.00  -0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     8   8    -0.08  -0.42  -0.12     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1     0.02   0.04   0.01    -0.00  -0.01   0.03    -0.00  -0.02   0.11
    10   1     0.06   0.01   0.01    -0.01  -0.07  -0.04    -0.02  -0.10  -0.07
    11   1     0.47  -0.11  -0.20     0.00   0.00  -0.00     0.00   0.00   0.00
    12   1    -0.00   0.01   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   1     0.02  -0.02  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    14   1     0.01   0.01   0.04    -0.30  -0.16   0.10    -0.12  -0.07   0.04
    15   1    -0.01  -0.01   0.01     0.24  -0.22   0.03     0.09  -0.09   0.01
    16   1    -0.03   0.01   0.00     0.14   0.61   0.44     0.06   0.27   0.19
    17   1    -0.01  -0.00   0.00     0.02  -0.05   0.23    -0.03   0.11  -0.50
    18   1    -0.02  -0.00   0.01    -0.05  -0.23  -0.14     0.12   0.53   0.33
    19   1     0.02   0.02  -0.01    -0.14   0.12  -0.03     0.29  -0.26   0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3040.3171              3059.6231              3079.7860
 Red. masses --      1.0826                 1.0838                 1.0954
 Frc consts  --      5.8959                 5.9777                 6.1215
 IR Inten    --      8.3639                 1.0313                14.2890
 RamAct Fr= 1--    103.7515                63.0982                25.5022
  Dep-P Fr= 1--      0.1352                 0.7018                 0.6191
  Dep-U Fr= 1--      0.2382                 0.8248                 0.7647
 Alpha2 Fr= 1--      1.6649                 0.0529                 0.0611
 Beta2  Fr= 1--      4.1190                 8.6739                 3.2504
 AlphaG Fr= 1--     -0.1531                -0.1061                 0.0115
 Gamma2 Fr= 1--      2.1818                -9.7787                 7.9848
 Delta2 Fr= 1--      1.9725                -6.1319                 7.9192
 Raman1 Fr= 1--     415.006                252.393                102.009
 ROA1   Fr= 1--     272.569              -1134.975               1019.957
 CID1   Fr= 1--       0.657                 -4.497                  9.999
 Raman2 Fr= 1--      49.428                104.087                 39.004
 ROA2   Fr= 1--      36.582               -185.634                128.283
 CID2   Fr= 1--       0.740                 -1.783                  3.289
 Raman3 Fr= 1--      98.855                208.174                 78.009
 ROA3   Fr= 1--     272.569              -1134.975               1019.957
 CID3   Fr= 1--       2.757                 -5.452                 13.075
 RC180  Fr= 1--      -0.524                  0.650                  0.529
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.01   0.02   0.03     0.00  -0.04  -0.05
     2   6     0.00   0.01   0.00    -0.01  -0.06  -0.04    -0.00  -0.01  -0.00
     3   6     0.00   0.02  -0.08     0.00   0.00  -0.01     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.01     0.00   0.02  -0.00    -0.00   0.06   0.00
     7   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     8   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1    -0.02  -0.21   0.96    -0.00  -0.02   0.10     0.00  -0.00   0.02
    10   1    -0.02  -0.08  -0.05     0.13   0.70   0.44     0.02   0.08   0.05
    11   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    12   1    -0.01   0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   1     0.01   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.04   0.02  -0.01    -0.17  -0.08   0.06    -0.30  -0.14   0.11
    15   1    -0.03   0.02  -0.00     0.18  -0.15   0.03     0.39  -0.32   0.07
    16   1    -0.01  -0.06  -0.04    -0.01  -0.05  -0.04    -0.07  -0.27  -0.20
    17   1     0.00  -0.01   0.05    -0.02   0.07  -0.28     0.03  -0.11   0.42
    18   1    -0.01  -0.06  -0.03    -0.05  -0.21  -0.13     0.10   0.43   0.25
    19   1    -0.05   0.04  -0.01     0.13  -0.11   0.03    -0.16   0.12  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3088.8254              3096.3625              3107.9720
 Red. masses --      1.0959                 1.0996                 1.1023
 Frc consts  --      6.1605                 6.2112                 6.2733
 IR Inten    --     38.5373                34.1554                20.3724
 RamAct Fr= 1--     65.8868                89.4949                57.6261
  Dep-P Fr= 1--      0.1677                 0.4640                 0.7435
  Dep-U Fr= 1--      0.2873                 0.6339                 0.8529
 Alpha2 Fr= 1--      0.9734                 0.5180                 0.0063
 Beta2  Fr= 1--      3.1545                 9.4551                 8.1916
 AlphaG Fr= 1--     -0.0740                -0.2596                -0.0100
 Gamma2 Fr= 1--     -0.2918                 2.9268                -3.9856
 Delta2 Fr= 1--     -3.1493                 2.9353                -3.0476
 Raman1 Fr= 1--     263.547                357.979                230.504
 ROA1   Fr= 1--    -128.795                374.907               -480.143
 CID1   Fr= 1--      -0.489                  1.047                 -2.083
 Raman2 Fr= 1--      37.854                113.461                 98.299
 ROA2   Fr= 1--      18.191                 46.761                -71.274
 CID2   Fr= 1--       0.481                  0.412                 -0.725
 Raman3 Fr= 1--      75.709                226.923                196.598
 ROA3   Fr= 1--    -128.795                374.907               -480.143
 CID3   Fr= 1--      -1.701                  1.652                 -2.442
 RC180  Fr= 1--      -0.425                  0.268                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.06    -0.05   0.07  -0.03    -0.00   0.01  -0.00
     2   6    -0.01  -0.03  -0.02     0.00   0.02   0.01    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.05  -0.00     0.01   0.02   0.00    -0.09  -0.00   0.01
     7   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.00  -0.01   0.06     0.00  -0.00   0.00     0.00   0.00  -0.00
    10   1     0.08   0.38   0.24    -0.03  -0.17  -0.10     0.00   0.01   0.00
    11   1     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.22   0.10  -0.08    -0.14  -0.07   0.05     0.65   0.34  -0.24
    15   1    -0.32   0.27  -0.06     0.08  -0.06   0.02     0.45  -0.41   0.08
    16   1     0.07   0.27   0.21    -0.02  -0.10  -0.08    -0.00   0.08   0.06
    17   1     0.02  -0.12   0.50     0.01  -0.07   0.36     0.00  -0.01   0.03
    18   1     0.07   0.31   0.17    -0.06  -0.19  -0.13    -0.00  -0.01  -0.01
    19   1     0.11  -0.10   0.01     0.64  -0.53   0.11     0.06  -0.05   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3432.5393              3510.7421              3594.0943
 Red. masses --      1.0642                 1.0504                 1.0928
 Frc consts  --      7.3873                 7.6282                 8.3172
 IR Inten    --    250.5299                 0.5864                12.4136
 RamAct Fr= 1--     62.9099                77.4963                41.1132
  Dep-P Fr= 1--      0.0841                 0.0533                 0.5348
  Dep-U Fr= 1--      0.1551                 0.1011                 0.6969
 Alpha2 Fr= 1--      1.1450                 1.5190                 0.1708
 Beta2  Fr= 1--      1.6263                 1.3061                 4.7750
 AlphaG Fr= 1--      0.2718                -0.1116                 0.1376
 Gamma2 Fr= 1--     -0.2588                 3.2071                -1.2113
 Delta2 Fr= 1--      0.5293                 0.7984                -1.3623
 Raman1 Fr= 1--     251.640                309.985                164.453
 ROA1   Fr= 1--      -7.904                333.434               -159.878
 CID1   Fr= 1--      -0.031                  1.076                 -0.972
 Raman2 Fr= 1--      19.516                 15.673                 57.301
 ROA2   Fr= 1--     -10.445                 70.584                -18.173
 CID2   Fr= 1--      -0.535                  4.504                 -0.317
 Raman3 Fr= 1--      39.031                 31.345                114.601
 ROA3   Fr= 1--      -7.904                333.434               -159.878
 CID3   Fr= 1--      -0.202                 10.637                 -1.395
 RC180  Fr= 1--      -0.690                 -0.798                  0.394
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   8    -0.02  -0.05  -0.01     0.00   0.01   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   7    -0.00  -0.00  -0.00    -0.04  -0.02  -0.03    -0.01  -0.05   0.06
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1    -0.00  -0.00  -0.00    -0.00   0.00   0.01     0.00   0.00  -0.02
    10   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    11   1     0.35   0.91   0.20    -0.04  -0.08  -0.02    -0.01  -0.01  -0.00
    12   1     0.03  -0.01   0.06     0.35  -0.07   0.76    -0.25   0.03  -0.47
    13   1     0.03   0.04  -0.04     0.22   0.40  -0.30     0.38   0.61  -0.44
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   592.539251224.836551436.89018
           X            0.99977  -0.02100  -0.00368
           Y            0.02078   0.99844  -0.05181
           Z            0.00476   0.05173   0.99865
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14617     0.07071     0.06028
 Rotational constants (GHZ):           3.04577     1.47345     1.25600
 Zero-point vibrational energy     432526.0 (Joules/Mol)
                                  103.37620 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     81.56   119.73   265.33   322.19   354.79
          (Kelvin)            389.51   420.28   448.23   522.97   595.48
                              748.56   784.24   874.90  1056.07  1166.44
                             1209.00  1261.34  1296.40  1349.27  1397.44
                             1437.17  1491.90  1562.22  1673.39  1726.68
                             1733.18  1753.02  1846.04  1948.53  1971.73
                             2018.23  2024.15  2033.62  2054.87  2139.90
                             2155.89  2171.06  2175.69  2383.62  2640.19
                             4345.44  4352.30  4374.34  4402.12  4431.13
                             4444.13  4454.98  4471.68  4938.66  5051.17
                             5171.10
 
 Zero-point correction=                           0.164740 (Hartree/Particle)
 Thermal correction to Energy=                    0.173945
 Thermal correction to Enthalpy=                  0.174889
 Thermal correction to Gibbs Free Energy=         0.130814
 Sum of electronic and zero-point Energies=           -402.407876
 Sum of electronic and thermal Energies=              -402.398672
 Sum of electronic and thermal Enthalpies=            -402.397727
 Sum of electronic and thermal Free Energies=         -402.441803
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.152             33.640             92.764
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.435
 Vibrational            107.374             27.678             24.141
 Vibration     1          0.596              1.975              4.569
 Vibration     2          0.600              1.961              3.814
 Vibration     3          0.631              1.861              2.283
 Vibration     4          0.649              1.805              1.927
 Vibration     5          0.661              1.768              1.755
 Vibration     6          0.674              1.727              1.592
 Vibration     7          0.687              1.688              1.462
 Vibration     8          0.700              1.652              1.354
 Vibration     9          0.737              1.547              1.107
 Vibration    10          0.777              1.440              0.913
 Vibration    11          0.875              1.205              0.609
 Vibration    12          0.900              1.150              0.554
 Vibration    13          0.967              1.015              0.436
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.676033D-60        -60.170032       -138.546620
 Total V=0       0.402948D+16         15.605249         35.932415
 Vib (Bot)       0.371399D-73        -73.430160       -169.079191
 Vib (Bot)    1  0.364411D+01          0.561592          1.293113
 Vib (Bot)    2  0.247351D+01          0.393314          0.905638
 Vib (Bot)    3  0.108744D+01          0.036404          0.083822
 Vib (Bot)    4  0.881852D+00         -0.054604         -0.125731
 Vib (Bot)    5  0.792745D+00         -0.100867         -0.232254
 Vib (Bot)    6  0.713606D+00         -0.146542         -0.337424
 Vib (Bot)    7  0.653910D+00         -0.184482         -0.424786
 Vib (Bot)    8  0.606423D+00         -0.217224         -0.500178
 Vib (Bot)    9  0.503089D+00         -0.298355         -0.686988
 Vib (Bot)   10  0.426228D+00         -0.370358         -0.852782
 Vib (Bot)   11  0.310171D+00         -0.508399         -1.170631
 Vib (Bot)   12  0.289267D+00         -0.538701         -1.240405
 Vib (Bot)   13  0.243510D+00         -0.613482         -1.412595
 Vib (V=0)       0.221372D+03          2.345122          5.399843
 Vib (V=0)    1  0.417826D+01          0.620995          1.429894
 Vib (V=0)    2  0.302354D+01          0.480516          1.106428
 Vib (V=0)    3  0.169688D+01          0.229651          0.528790
 Vib (V=0)    4  0.151374D+01          0.180050          0.414581
 Vib (V=0)    5  0.143725D+01          0.157533          0.362734
 Vib (V=0)    6  0.137134D+01          0.137145          0.315788
 Vib (V=0)    7  0.132316D+01          0.121614          0.280025
 Vib (V=0)    8  0.128597D+01          0.109231          0.251513
 Vib (V=0)    9  0.120929D+01          0.082532          0.190037
 Vib (V=0)   10  0.115702D+01          0.063339          0.145844
 Vib (V=0)   11  0.108839D+01          0.036786          0.084702
 Vib (V=0)   12  0.107765D+01          0.032476          0.074779
 Vib (V=0)   13  0.105615D+01          0.023724          0.054626
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.365557D+06          5.562955         12.809177
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3  3       33333333                                         1     1 1111111111 11111  1 1                                    
     5  5  4       10000000                                         8     6 5544444433 22221  0 0999 9888  7   6 55   4 3322221      
     9  1  3       09886422                                         3     5 1098210075 81006  8 3973 0741  3   0 42   1 6197428  85  
     4  1  3       86900050                                         5     7 2987837304 38503  6 7918 1701  4   8 50   4 3221744  37  
 
     X  X  X       XXXXXXXX                                         X     X XXXXXXXXXX XXXXX  X XXXX XXXX  X   X XX   X XXXXXXX  XX  
           X        XX                                              X            X               X   XXXX                            
           X                                                        X            X               X   XX                              
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
                                                                    X            X                                                   
                                                                    X            X                                                   
                                                                                 X                                                   
                                                                                 X                                                   
                                                                                 X                                                   
                                                                                 X                                                   
                                                                                 X                                                   
                                                                                 X                                                   
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000015325   -0.000004427    0.000005460
      2        6           0.000011094   -0.000005694    0.000009687
      3        6          -0.000019417   -0.000006989    0.000032086
      4        6           0.000056109    0.000002611   -0.000022541
      5        8          -0.000023973    0.000023698    0.000014541
      6        6           0.000010779    0.000014654   -0.000015470
      7        7          -0.000001345    0.000007251   -0.000005182
      8        8          -0.000013696    0.000007950    0.000012184
      9        1           0.000003608    0.000014301    0.000000578
     10        1           0.000003217   -0.000004792   -0.000010989
     11        1          -0.000002930   -0.000027696   -0.000005252
     12        1           0.000002088   -0.000010682   -0.000013350
     13        1           0.000000380   -0.000004749   -0.000001735
     14        1          -0.000000278    0.000000118    0.000001144
     15        1          -0.000007111   -0.000003138   -0.000002317
     16        1           0.000000880   -0.000000492   -0.000003591
     17        1          -0.000001770   -0.000004311    0.000003105
     18        1          -0.000000908    0.000001860   -0.000001180
     19        1          -0.000001402    0.000000528    0.000002821
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000056109 RMS     0.000013029
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.866935D+02 -0.876050D-01 -0.205479D+01
      2  -0.876050D-01  0.807227D+02  0.148345D+01
      3  -0.205479D+01  0.148345D+01  0.707921D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.609716D+00 -0.245213D+00  0.102485D+01
      2   0.259943D+01 -0.798246D+01  0.337798D+02
      3   0.649543D+01 -0.171851D+02  0.858951D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.727312D+02 -0.762509D+01 -0.260049D+01
      2  -0.417106D+02  0.866496D+01 -0.103338D+01
      3  -0.310205D+02 -0.103987D+01  0.363387D+01
      4  -0.347388D+01  0.368182D+02 -0.213594D+02
      5   0.569349D+01 -0.233222D+02  0.742453D+02
      6  -0.912761D+01  0.754931D+01 -0.827758D-01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.129218D+01  0.370532D+01 -0.206928D+01  0.415962D+01 -0.289817D+01
      2   0.370532D+01 -0.246713D+01 -0.917788D+00 -0.289817D+01 -0.213124D+01
      3  -0.206928D+01 -0.917788D+00  0.514403D+00 -0.844556D+00 -0.203441D+01
                 6             7             8             9            10 
      1  -0.844556D+00 -0.228303D+01 -0.559208D+00 -0.316791D+00  0.202114D+01
      2  -0.203441D+01 -0.559208D+00 -0.202507D+01 -0.288315D+01 -0.327204D+01
      3  -0.267573D+01 -0.316791D+00 -0.288315D+01  0.593782D+01  0.241749D+01
                11            12            13            14            15 
      1  -0.327204D+01  0.241749D+01 -0.414412D+01  0.162982D+01  0.977622D+00
      2   0.178077D+01  0.111747D+01  0.162982D+01  0.245834D+01  0.226360D+01
      3   0.111747D+01 -0.218860D+00  0.977622D+00  0.226360D+01  0.306362D+01
                16            17            18            19            20 
      1   0.273885D+01  0.742879D+00 -0.238523D-01 -0.767331D+00  0.316639D+01
      2   0.742879D+00  0.206837D+01  0.345063D+01  0.316639D+01 -0.884426D+00
      3  -0.238523D-01  0.345063D+01 -0.349817D+01 -0.445294D+00 -0.227450D+00
                21            22            23            24            25 
      1  -0.445294D+00  0.352331D+01  0.222238D+00  0.222944D+00 -0.573105D+00
      2  -0.227450D+00  0.222238D+00 -0.185549D+01 -0.971091D+00  0.717103D+00
      3  -0.524190D-01  0.222944D+00 -0.971091D+00 -0.115535D+01  0.175481D+00
                26            27            28            29            30 
      1   0.717103D+00  0.175481D+00 -0.152624D+01 -0.219061D+01 -0.321651D+00
      2  -0.972194D+00 -0.208108D+01 -0.219061D+01  0.294949D+00  0.655116D+00
      3  -0.208108D+01  0.537190D+01 -0.321651D+00  0.655116D+00 -0.189771D+00
                31            32            33            34            35 
      1  -0.277234D+00  0.167764D+01  0.882520D+00  0.149201D+00  0.112895D+01
      2   0.167764D+01  0.519184D+01  0.162687D+01  0.112895D+01  0.198008D+01
      3   0.882520D+00  0.162687D+01  0.778952D+00  0.336109D+00  0.816027D+00
                36            37            38            39            40 
      1   0.336109D+00 -0.798037D+01  0.139044D+01  0.147911D+01 -0.208955D+01
      2   0.816027D+00  0.139044D+01 -0.197195D+01 -0.504438D+00 -0.364409D+01
      3  -0.321145D-01  0.147911D+01 -0.504438D+00 -0.117955D+01 -0.178381D+00
                41            42            43            44            45 
      1  -0.364409D+01 -0.178381D+00  0.119428D+01 -0.779528D+00 -0.200906D+01
      2  -0.134511D+01 -0.224033D+00 -0.779528D+00 -0.614679D+00  0.650868D+00
      3  -0.224033D+00 -0.558905D-01 -0.200906D+01  0.650868D+00  0.196308D+01
                46            47            48            49            50 
      1   0.188566D+00  0.464660D+01 -0.288291D+01  0.459467D+01 -0.209480D+01
      2   0.464660D+01 -0.224676D+01 -0.668172D+00 -0.209480D+01 -0.241898D+00
      3  -0.288291D+01 -0.668172D+00  0.280103D+00 -0.740241D+00 -0.290975D+01
                51            52            53            54            55 
      1  -0.740241D+00 -0.228956D+01 -0.741816D+00  0.187036D+00 -0.928355D+00
      2  -0.290975D+01 -0.741816D+00 -0.242382D+01 -0.291039D+01 -0.106554D+01
      3  -0.231025D+01  0.187036D+00 -0.291039D+01  0.192455D+01 -0.139173D+00
                56            57            58            59            60 
      1  -0.106554D+01 -0.139173D+00 -0.861105D+00 -0.275278D+01  0.224045D+00
      2  -0.266509D+01  0.354992D+00 -0.275278D+01  0.232375D+01  0.190906D+01
      3   0.354992D+00 -0.197656D+01  0.224045D+00  0.190906D+01  0.123570D+00
                61            62            63            64            65 
      1   0.557331D-01  0.457029D+00 -0.226385D+01 -0.145627D+01 -0.279471D+01
      2   0.457029D+00  0.212233D+01  0.491050D+00 -0.279471D+01 -0.186313D+01
      3  -0.226385D+01  0.491050D+00 -0.211363D+01 -0.993762D+00 -0.916283D+00
                66            67            68            69            70 
      1  -0.993762D+00 -0.417243D+01 -0.235349D+01 -0.618195D+00 -0.148007D+01
      2  -0.916283D+00 -0.235349D+01 -0.118029D+02 -0.234948D+01 -0.702396D+00
      3  -0.471904D+00 -0.618195D+00 -0.234948D+01 -0.269138D+01 -0.111687D+01
                71            72            73            74            75 
      1  -0.702396D+00 -0.111687D+01  0.256747D+00 -0.249438D+00 -0.104849D+01
      2  -0.187630D+01 -0.329427D+01 -0.249438D+00  0.808239D-01  0.311509D-01
      3  -0.329427D+01 -0.257081D+01 -0.104849D+01  0.311509D-01 -0.287770D-01
                76            77            78            79            80 
      1  -0.497424D+00 -0.721265D-01  0.156022D+00 -0.190720D+01 -0.484144D-01
      2  -0.721265D-01  0.146578D+01 -0.122144D+01 -0.484144D-01 -0.169621D+01
      3   0.156022D+00 -0.122144D+01  0.124878D+01 -0.179892D+00  0.175180D+01
                81            82            83            84            85 
      1  -0.179892D+00 -0.121143D+01 -0.371581D+00 -0.105129D+01 -0.106606D+01
      2   0.175180D+01 -0.371581D+00 -0.301814D+00 -0.827125D-01 -0.380507D+00
      3  -0.771317D+01 -0.105129D+01 -0.827125D-01 -0.203231D+00 -0.192908D+00
                86            87            88            89            90 
      1  -0.380507D+00 -0.192908D+00 -0.162832D+01 -0.201243D+00 -0.125839D-01
      2  -0.541304D+01 -0.214934D+01 -0.201243D+00 -0.225092D+01 -0.217834D+01
      3  -0.214934D+01 -0.259108D+01 -0.125839D-01 -0.217834D+01 -0.212356D+01
                91            92            93            94            95 
      1   0.115011D+01  0.195943D+01  0.514272D-01  0.464341D+01  0.463560D+00
      2   0.195943D+01  0.435537D+00  0.190943D+00  0.463560D+00  0.424063D+01
      3   0.514272D-01  0.190943D+00 -0.290822D+00 -0.373704D+00  0.957829D+00
                96            97            98            99           100 
      1  -0.373704D+00  0.726159D+00 -0.284010D-01 -0.737323D+00  0.543437D+00
      2   0.957829D+00 -0.284010D-01  0.901919D+00  0.643917D+00  0.349095D+00
      3   0.112103D+01 -0.737323D+00  0.643917D+00  0.900771D+00  0.986209D+00
               101           102           103           104           105 
      1   0.349095D+00  0.986209D+00  0.246618D+00  0.585112D+00  0.563627D-01
      2   0.104996D+01  0.335234D+00  0.585112D+00  0.292102D+00  0.731018D+00
      3   0.335234D+00  0.166709D+01  0.563627D-01  0.731018D+00  0.124646D+00
               106           107           108           109           110 
      1   0.232534D+01 -0.536702D-01  0.176933D+01  0.111921D+01  0.150585D+01
      2  -0.536702D-01  0.217764D+01  0.764384D+00  0.150585D+01  0.281760D+01
      3   0.176933D+01  0.764384D+00  0.475485D+01 -0.281944D+00 -0.520606D+00
               111           112           113           114           115 
      1  -0.281944D+00  0.242332D+01  0.227778D+01 -0.555333D+00 -0.117805D+01
      2  -0.520606D+00  0.227778D+01  0.586602D+01 -0.115980D+01 -0.882052D+00
      3   0.655674D+00 -0.555333D+00 -0.115980D+01  0.131861D+01  0.650334D+00
               116           117           118           119           120 
      1  -0.882052D+00  0.650334D+00 -0.462632D+01 -0.189401D+01  0.163752D+01
      2  -0.266099D+01  0.139766D+01 -0.189401D+01 -0.176512D+01  0.130122D+01
      3   0.139766D+01 -0.113898D+01  0.163752D+01  0.130122D+01 -0.266665D+01
               121           122           123           124           125 
      1  -0.211863D+01 -0.104013D+01  0.762933D+00  0.125238D+01  0.771166D+00
      2  -0.104013D+01 -0.208320D+01  0.148780D+01  0.771166D+00  0.113564D+01
      3   0.762933D+00  0.148780D+01 -0.119425D+01 -0.137631D+01 -0.719516D+00
               126           127           128           129           130 
      1  -0.137631D+01  0.456718D+01 -0.313974D+01  0.170464D+01 -0.315333D+01
      2  -0.719516D+00 -0.313974D+01  0.316482D+01 -0.110254D+01  0.272179D+01
      3   0.167699D+01  0.170464D+01 -0.110254D+01  0.178677D+01 -0.900494D+00
               131           132           133           134           135 
      1   0.272179D+01 -0.900494D+00  0.812876D+00 -0.516420D+00  0.102176D+01
      2  -0.400394D+01  0.172040D+01 -0.516420D+00  0.985572D+00 -0.740015D+00
      3   0.172040D+01 -0.130314D+01  0.102176D+01 -0.740015D+00  0.802467D+00
               136           137           138           139           140 
      1   0.805002D+00  0.196872D+00  0.112560D+01  0.100989D+01  0.489329D+00
      2   0.196872D+00  0.819785D+00  0.419688D+00  0.489329D+00  0.330247D+01
      3   0.112560D+01  0.419688D+00  0.977594D+00  0.786056D+00  0.181295D+01
               141           142           143           144           145 
      1   0.786056D+00  0.116178D+01  0.289744D+00  0.701873D+00  0.213616D+00
      2   0.181295D+01  0.289744D+00  0.198277D+01  0.177313D+01 -0.720092D-01
      3   0.348910D+01  0.701873D+00  0.177313D+01  0.389241D+01 -0.789941D+00
               146           147           148           149           150 
      1  -0.720092D-01 -0.789941D+00  0.353464D-01  0.628529D+00 -0.245785D+00
      2   0.122305D+00  0.954479D-01  0.628529D+00  0.104632D+01 -0.113474D+01
      3   0.954479D-01 -0.282683D-01 -0.245785D+00 -0.113474D+01  0.166587D+01
               151           152           153           154           155 
      1  -0.211874D+01 -0.293406D+00  0.165537D+01  0.136894D+01  0.917491D+00
      2  -0.293406D+00 -0.151531D+01  0.186641D+01  0.917491D+00  0.137071D+01
      3   0.165537D+01  0.186641D+01 -0.869806D+01  0.687107D+00  0.396726D+00
               156           157           158           159           160 
      1   0.687107D+00  0.236268D+01  0.196858D+01  0.265652D+00  0.196462D+01
      2   0.396726D+00  0.196858D+01  0.501381D+01  0.137475D+01  0.791404D+00
      3   0.369255D+00  0.265652D+00  0.137475D+01  0.185169D+01  0.565007D+00
               161           162           163           164           165 
      1   0.791404D+00  0.565007D+00  0.755453D+01 -0.278780D+01 -0.653620D-01
      2   0.218663D+01  0.146055D+01 -0.278780D+01  0.222816D+01  0.419959D-01
      3   0.146055D+01  0.104500D+01 -0.653620D-01  0.419959D-01  0.105592D+01
               166           167           168           169           170 
      1  -0.461898D+01  0.257171D+01  0.315440D+00  0.107685D+01 -0.917222D-01
      2   0.257171D+01 -0.232422D+01  0.269800D+00 -0.917222D-01  0.494552D+00
      3   0.315440D+00  0.269800D+00 -0.808793D+00  0.974225D+00 -0.259678D+00
               171 
      1   0.974225D+00
      2  -0.259678D+00
      3  -0.381335D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.277762D+01  0.228647D+01  0.107210D+01  0.280377D+01  0.212276D+01
      2  -0.696887D+01  0.742584D+00  0.101174D+01  0.159385D+01 -0.829673D+01
      3  -0.113118D+02  0.605832D+01  0.272636D+01  0.125648D+02  0.705132D+01
                 6             7             8             9            10 
      1   0.436576D+00  0.179686D+01  0.429801D+01 -0.236819D-01  0.309581D+01
      2  -0.853917D+01 -0.625180D+01 -0.895516D+01  0.170523D+02  0.666556D+01
      3   0.525867D+01  0.856437D+00  0.622757D+01  0.786162D+01  0.380381D+01
                11            12            13            14            15 
      1  -0.493458D+00 -0.140137D+00 -0.494387D+00  0.314246D+01 -0.264909D+01
      2  -0.964810D+00  0.372953D+01 -0.171564D+01  0.385618D+01  0.346408D+01
      3  -0.272709D+01 -0.147323D+01  0.381906D+01 -0.568199D+01 -0.476939D+01
                16            17            18            19            20 
      1   0.380996D-01  0.374536D+01 -0.260960D+01 -0.324149D+01  0.635481D+00
      2  -0.350095D+01  0.387352D+01 -0.316623D+01 -0.126551D+01  0.122338D+01
      3  -0.199774D+01 -0.397770D+01 -0.401361D+01  0.178985D+01 -0.436776D+01
                21            22            23            24            25 
      1  -0.109294D+01  0.346908D+00  0.755451D+00  0.981066D+00 -0.162076D+01
      2   0.127942D+01  0.450400D+01 -0.190182D+01  0.249127D+01 -0.322838D+01
      3   0.626765D+00  0.105635D+01 -0.304750D+01  0.140202D+01 -0.120677D+01
                26            27            28            29            30 
      1   0.533122D+01  0.608233D+00  0.116039D+01  0.124895D+01  0.276842D+00
      2   0.106145D+01 -0.233610D+01 -0.533002D+01  0.577581D+00 -0.467459D+01
      3   0.111355D+01  0.609775D+00 -0.721009D+01 -0.138959D+00 -0.131084D+01
                31            32            33            34            35 
      1   0.252393D+01 -0.545986D+01  0.687284D+01  0.122351D+01  0.669721D+01
      2   0.583411D+01  0.402560D-02 -0.260023D+01 -0.170190D+02 -0.278121D+01
      3  -0.928043D-01  0.114237D+02  0.762822D-01 -0.336063D+01 -0.427100D+00
                36            37            38            39            40 
      1   0.532577D+01 -0.151851D+01 -0.258023D+01  0.235736D+01 -0.176680D+01
      2   0.343368D+01  0.693220D+00  0.233982D+01  0.888851D+01  0.166936D+01
      3   0.929648D+00 -0.374497D+01 -0.145595D+02 -0.117631D+01 -0.111414D+02
                41            42            43            44            45 
      1  -0.166332D+01 -0.384153D+01  0.657356D-01  0.230685D+01 -0.153792D+01
      2   0.179028D+01  0.896950D+00  0.598890D+01  0.230596D+00 -0.541482D+01
      3  -0.105117D+02 -0.119125D+01 -0.256067D+00  0.566837D-01  0.111618D+01
                46            47            48            49            50 
      1   0.477884D+01 -0.472973D+01 -0.550203D+00 -0.407643D+01 -0.329352D+01
      2  -0.500596D+01 -0.943071D+01  0.931793D+01 -0.783251D+01 -0.101038D+01
      3  -0.752073D+01 -0.418307D+01  0.462795D+01 -0.388176D+00  0.324726D+01
                51            52            53            54            55 
      1  -0.118676D+02 -0.112842D+01 -0.678486D+01 -0.199649D+01  0.649020D+00
      2  -0.266813D+01  0.242520D+01 -0.284885D+01  0.132189D+01  0.560604D+00
      3   0.504738D+01  0.365219D+01  0.487378D+01  0.369767D+01 -0.315201D+01
                56            57            58            59            60 
      1  -0.333755D+01  0.598243D+01 -0.329126D+01 -0.681160D+01 -0.463564D+01
      2   0.182301D+01  0.598457D+01 -0.304478D+00  0.422913D+00 -0.142521D+01
      3  -0.101350D+02 -0.172672D+01  0.212548D+01 -0.291938D+01  0.183145D+01
                61            62            63            64            65 
      1   0.655002D+01  0.403853D+01  0.475359D+01  0.394648D+00  0.102198D+01
      2  -0.190052D+01 -0.118623D+01  0.194076D+01  0.135336D+01  0.355035D+00
      3   0.480130D+00  0.374229D+01 -0.549149D+01 -0.129087D+01 -0.453591D+01
                66            67            68            69            70 
      1  -0.226377D+01  0.249706D+00  0.488241D+01 -0.100002D+02 -0.440768D+00
      2   0.477027D+01 -0.588326D+01  0.167818D+01  0.534843D+01  0.868661D+00
      3  -0.695419D+00  0.955164D+01 -0.196064D+02 -0.248046D+01  0.163845D+01
                71            72            73            74            75 
      1   0.195580D+01 -0.210387D+01  0.692230D+00 -0.368251D+00  0.131444D+00
      2   0.567710D+01  0.302613D+01  0.120257D+01 -0.168643D+00  0.735296D-01
      3  -0.229120D+01 -0.553753D+01  0.583702D+00 -0.415405D+00 -0.508831D+00
                76            77            78            79            80 
      1  -0.249418D+00 -0.173413D+01 -0.708240D+00  0.234093D+00  0.274467D+01
      2  -0.214000D+00  0.434413D+00 -0.355853D+00 -0.383864D+01 -0.295516D-01
      3   0.146861D+01  0.384166D+00 -0.281019D+00 -0.103543D+01 -0.489691D+00
                81            82            83            84            85 
      1   0.201628D+01 -0.913102D+00  0.147625D+00 -0.209773D+00 -0.148613D+00
      2   0.893419D+00 -0.274361D+01 -0.232838D+00 -0.138589D+00 -0.168614D+01
      3   0.967824D-01  0.277446D+01  0.480501D+00  0.113849D+01  0.458814D+01
                86            87            88            89            90 
      1   0.107509D+01 -0.318216D+01  0.312850D-01  0.715625D+00 -0.100106D+01
      2  -0.248650D+01 -0.297188D+01 -0.283280D+01 -0.241114D+01 -0.229932D+01
      3   0.722631D+01  0.316251D+01  0.249790D+01  0.312776D+01  0.290092D+01
                91            92            93            94            95 
      1   0.131174D+01  0.158776D+01  0.141831D+01  0.178480D+01  0.216155D+01
      2  -0.224756D+01 -0.213061D+01 -0.162710D+01 -0.231608D+01 -0.403930D+01
      3   0.596115D+01  0.843765D+01  0.776177D+00  0.120549D+02  0.164926D+02
                96            97            98            99           100 
      1  -0.441178D+00  0.127164D+01  0.167679D+01 -0.249698D+00 -0.280185D+01
      2  -0.360571D+01 -0.208974D+01 -0.229031D+01 -0.123186D+01 -0.180412D+01
      3   0.287759D+01  0.134203D+01  0.223063D+01  0.260119D+00  0.227953D+01
               101           102           103           104           105 
      1   0.116822D+01 -0.512014D+01  0.109146D+01 -0.222476D+01  0.389459D+00
      2   0.416382D-01 -0.847963D+00  0.313474D+00 -0.108847D+01  0.703268D+00
      3  -0.277811D+00  0.241476D+01  0.440118D+00  0.122007D+01 -0.281434D-02
               106           107           108           109           110 
      1  -0.568744D+01  0.158905D+01 -0.109871D+02  0.108664D+01  0.239868D+01
      2  -0.401756D+01  0.613609D+00 -0.204226D+01  0.298984D+00 -0.310658D+00
      3   0.584660D+01 -0.588720D+00  0.478476D+01  0.409544D+01  0.286325D+01
               111           112           113           114           115 
      1  -0.260119D+01  0.280381D+01  0.449646D+01 -0.422671D+01 -0.234940D+01
      2   0.174148D+00 -0.342367D+00 -0.413939D+00  0.570918D+00 -0.942741D+00
      3  -0.908525D+00  0.782604D+01  0.564557D+01 -0.189239D+01 -0.397258D+01
               116           117           118           119           120 
      1  -0.297004D+01  0.293402D+01 -0.167704D+01 -0.237112D+01 -0.186326D+01
      2   0.202778D+00 -0.195286D+00  0.115793D+02  0.436707D+01 -0.336919D+01
      3  -0.262427D+01  0.196889D+01  0.944956D+01  0.276575D+01 -0.282883D+01
               121           122           123           124           125 
      1  -0.120132D+01 -0.148749D+01 -0.107411D+00 -0.492260D+00  0.225843D+01
      2   0.484317D+01  0.319859D+01 -0.185884D+01 -0.500837D+01 -0.211225D+01
      3   0.537910D+01  0.295928D+01 -0.244880D+01 -0.227699D+01 -0.159063D+01
               126           127           128           129           130 
      1   0.674466D+00 -0.294330D+01  0.436940D+01  0.162956D+01  0.310478D+01
      2   0.346996D+01 -0.480911D+01  0.297440D+01  0.241971D+01  0.423625D+01
      3   0.259228D+01 -0.133948D+01 -0.296420D+01  0.620567D-01  0.166154D+01
               131           132           133           134           135 
      1  -0.396399D+01 -0.735671D+00  0.986200D-01  0.190956D+01 -0.193104D+00
      2  -0.158921D+01 -0.139910D+01 -0.132744D+01  0.188631D+00 -0.146105D+00
      3   0.339033D+01 -0.150188D+01 -0.578049D+00 -0.110093D+01 -0.192302D+00
               136           137           138           139           140 
      1   0.148738D+01  0.192171D+01  0.135437D+01  0.882941D+00  0.107015D+02
      2   0.319460D+00  0.210925D+00  0.661639D+00 -0.185788D+01  0.235252D+01
      3  -0.427070D+00 -0.207948D+01 -0.150121D+01  0.619568D+00 -0.672720D+01
               141           142           143           144           145 
      1   0.463052D+01  0.127768D+01  0.780491D+01  0.624824D+01  0.191214D+00
      2   0.411946D+01 -0.248688D+01  0.190996D+01  0.419871D+01 -0.246624D+01
      3  -0.299523D+01 -0.795536D+00 -0.339073D+01 -0.317646D+01  0.225172D+00
               146           147           148           149           150 
      1   0.569245D-01 -0.106021D+00 -0.318886D+00 -0.135014D+01 -0.545348D+00
      2  -0.109297D+00  0.383143D+00  0.292045D-01 -0.203048D+01  0.457249D+01
      3  -0.100198D+01 -0.196865D+00 -0.322062D+00 -0.287072D+01  0.260141D+01
               151           152           153           154           155 
      1  -0.104525D+00  0.365828D+01  0.878870D+00 -0.102678D+01 -0.126946D+01
      2  -0.120154D+01  0.473572D+01 -0.215165D+02  0.311074D+01  0.180317D+01
      3  -0.362790D+00  0.426724D+01 -0.487930D+01 -0.281100D+01 -0.427905D+01
               156           157           158           159           160 
      1  -0.957730D+00 -0.134705D+01 -0.388730D+01 -0.407091D+01 -0.788420D+00
      2   0.223861D+01  0.171213D+01  0.616022D+01  0.647874D+01  0.814122D+00
      3  -0.792477D+00 -0.195444D+01 -0.154630D+02 -0.462900D+01 -0.470300D+00
               161           162           163           164           165 
      1  -0.849425D+00 -0.221504D+01  0.205179D+01 -0.169340D+01  0.682733D+00
      2   0.480178D+01  0.398886D+01  0.582929D+01 -0.236895D+01  0.511868D+01
      3  -0.721961D+01 -0.419644D+01  0.788805D+01 -0.929927D+01  0.352525D-02
               166           167           168           169           170 
      1  -0.167004D+01  0.179634D+01 -0.169273D+01 -0.182456D-01  0.233069D+00
      2  -0.258319D+01  0.295951D+01 -0.322151D+01  0.220512D+01 -0.637211D+00
      3  -0.591210D+01  0.774404D+01 -0.109326D+01 -0.858230D-03 -0.193894D+01
               171 
      1   0.221231D+00
      2   0.509179D-01
      3   0.668484D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.105262D+02  0.224974D+02 -0.106796D+02  0.267640D+02 -0.154381D+02
      2   0.260609D+01 -0.126550D+02  0.488036D+01 -0.147614D+02  0.250226D+01
      3   0.792007D+01 -0.984243D+01  0.579923D+01 -0.120026D+02  0.129358D+02
      4   0.243320D+02 -0.134091D+02 -0.473675D+01 -0.192372D+02 -0.110282D+02
      5  -0.955848D+01 -0.759892D+01  0.405586D+01 -0.914224D+01 -0.952628D+01
      6  -0.462391D+01  0.196279D+01  0.763094D-01  0.144707D+01 -0.860778D+00
                 6             7             8             9            10 
      1  -0.787217D+01 -0.130842D+02 -0.566160D+01  0.109128D+02 -0.537304D+01
      2  -0.256259D+01  0.332406D+01 -0.441818D+01  0.664498D+01  0.128951D+01
      3   0.104348D+02  0.976016D+01  0.100798D+02 -0.175578D+02  0.408353D+01
      4  -0.109356D+02 -0.417198D+01 -0.124174D+02 -0.119654D+02 -0.103193D+02
      5  -0.128203D+02  0.464346D+00 -0.128144D+02  0.251999D+02  0.101318D+02
      6  -0.756182D-01 -0.112374D+01 -0.256776D+00  0.533558D+01 -0.422448D+01
                11            12            13            14            15 
      1  -0.918928D+01  0.885790D+01 -0.129623D+02  0.958823D+01  0.629645D+01
      2   0.429716D+01 -0.597934D+01  0.688023D+01 -0.762257D+01 -0.929331D+01
      3   0.489212D+01 -0.287856D+01  0.608204D+01 -0.196565D+01  0.299686D+01
      4   0.429595D+01  0.165733D+01  0.972106D+01  0.510490D+01  0.513737D+01
      5   0.326004D+01 -0.102540D+01  0.617776D+01  0.573843D+01  0.675017D+01
      6   0.139229D+01 -0.694005D+00  0.718839D+00 -0.922482D+01 -0.325428D+01
                16            17            18            19            20 
      1   0.120632D+02  0.480449D+01  0.426913D+01 -0.677034D+01 -0.493137D+00
      2  -0.598280D+01 -0.330788D+01 -0.468668D+01  0.896817D+01 -0.329200D-02
      3  -0.608041D+01 -0.149661D+01  0.417550D+00 -0.219783D+01  0.496429D+00
      4   0.447003D+01  0.492446D+01  0.800145D+01 -0.127110D+01  0.417773D+01
      5  -0.134738D+00  0.801841D+01 -0.858224D+01 -0.243776D+01 -0.151960D+00
      6   0.738546D+00 -0.523514D+01  0.108500D+01  0.339023D+01 -0.250142D+01
                21            22            23            24            25 
      1   0.750862D-01  0.616408D+01  0.322786D+01 -0.146982D+01 -0.447497D+01
      2   0.190388D+01 -0.225173D+01 -0.560215D+01 -0.293889D+01  0.311754D+01
      3  -0.197897D+01 -0.391235D+01  0.237429D+01  0.440872D+01  0.135743D+01
      4   0.108190D+01 -0.675000D+01  0.566348D+01  0.806075D+00 -0.446678D+01
      5   0.707967D+00 -0.231950D+01  0.494284D+00  0.327227D+01 -0.115876D+01
      6   0.690470D+00 -0.655744D+00  0.758444D+00 -0.500053D+01 -0.868010D+00
                26            27            28            29            30 
      1  -0.960528D+00  0.934090D+01 -0.723623D+01  0.110174D+02  0.204592D+01
      2  -0.869390D+01  0.751403D+01  0.121100D+01 -0.843014D+01 -0.647409D+01
      3   0.965443D+01 -0.168549D+02  0.602523D+01 -0.258722D+01  0.442817D+01
      4   0.921939D+00 -0.122912D+00  0.614030D+01 -0.799630D+01 -0.275401D+01
      5  -0.138981D+01  0.655830D+00  0.370184D+01 -0.304287D+01 -0.734837D+01
      6  -0.321333D+01  0.857770D+01 -0.150958D+01 -0.254826D+01 -0.106357D+01
                31            32            33            34            35 
      1   0.172712D+01  0.781946D+01  0.344410D+01  0.371936D+01 -0.111584D+01
      2  -0.434658D+01 -0.171137D+02  0.449106D+01 -0.437949D+01 -0.271609D+01
      3   0.261946D+01  0.929427D+01 -0.793516D+01  0.660135D+00  0.383193D+01
      4  -0.189181D+02 -0.226950D+02 -0.565954D+01 -0.101256D+02 -0.262026D+01
      5  -0.931084D+01 -0.772554D+01 -0.473051D+01 -0.177594D+00 -0.393113D+01
      6  -0.306279D+01 -0.841064D+01 -0.110932D+02 -0.316297D+01  0.179629D+01
                36            37            38            39            40 
      1  -0.397736D+01  0.501819D+02 -0.765040D+01 -0.518265D+01  0.655172D+01
      2  -0.287168D+01 -0.299771D+02  0.157694D+01  0.667182D+01 -0.724300D+01
      3   0.684903D+01 -0.202049D+02  0.607347D+01 -0.148917D+01  0.691276D+00
      4  -0.466227D+01 -0.170015D+02  0.158868D+02  0.219582D+01  0.175111D+02
      5   0.411143D+01 -0.935867D+01  0.135939D+01  0.164172D+02  0.416612D+00
      6  -0.717686D+01 -0.881237D+00 -0.951317D-01 -0.288982D+01 -0.162642D+01
                41            42            43            44            45 
      1   0.114699D+02 -0.497439D+00 -0.318930D+01  0.266440D+01  0.633584D+01
      2  -0.430920D+01 -0.151797D+01  0.305737D+01 -0.151347D+01 -0.103191D+02
      3  -0.716072D+01  0.201541D+01  0.131927D+00 -0.115093D+01  0.398328D+01
      4  -0.102229D+01 -0.692123D+00  0.467022D+01 -0.859194D+00 -0.341890D+01
      5  -0.461240D+00 -0.792898D+00  0.155709D+02 -0.378461D+01 -0.118846D+02
      6  -0.105226D+01  0.658061D+01 -0.980054D+00  0.449084D+01  0.159625D+01
                46            47            48            49            50 
      1   0.822222D+01  0.135476D+02 -0.878438D+01  0.128536D+02 -0.339001D+01
      2  -0.894871D+01 -0.608030D+00  0.515981D+01 -0.117938D-01  0.647309D+01
      3   0.726489D+00 -0.129396D+02  0.362457D+01 -0.128418D+02 -0.308308D+01
      4   0.116678D+02 -0.164597D+02  0.567109D+01 -0.171603D+02  0.364803D+01
      5  -0.607562D+01  0.948607D+01 -0.560654D+01  0.804848D+01 -0.127689D+02
      6   0.157444D+02 -0.525523D+01 -0.309270D+01 -0.584991D+01  0.165691D+01
                51            52            53            54            55 
      1   0.315968D+01 -0.788571D+01  0.192268D+01 -0.601687D+01  0.154271D+02
      2   0.117508D+02  0.433329D+01  0.948152D+01  0.193212D+01 -0.114756D+02
      3  -0.149104D+02  0.355242D+01 -0.114042D+02  0.408475D+01 -0.395150D+01
      4  -0.832245D+01  0.326893D+01 -0.587993D+01 -0.864277D+01 -0.184927D+01
      5  -0.961529D+01 -0.644314D+01 -0.100013D+02  0.467023D+01 -0.113384D+01
      6  -0.741250D+01 -0.320702D+01 -0.496930D+01 -0.104631D+02 -0.696702D+00
                56            57            58            59            60 
      1   0.713193D+01 -0.899181D-01  0.489845D+01 -0.986711D+01 -0.592669D+01
      2  -0.132064D+02  0.380381D+01 -0.116323D+02  0.128451D+02  0.926405D+01
      3   0.607444D+01 -0.371389D+01  0.673381D+01 -0.297795D+01 -0.333737D+01
      4  -0.212602D+01 -0.123570D+01  0.314466D+01 -0.129787D+02  0.112907D+00
      5   0.195839D+00  0.260857D+01  0.723694D+00 -0.839081D+00 -0.239781D+01
      6   0.210463D+01 -0.796029D+01  0.132921D+01  0.117719D+02  0.601596D+01
                61            62            63            64            65 
      1  -0.237850D+01 -0.669715D+01  0.273733D+00  0.102523D+02  0.569368D+01
      2   0.643073D+01  0.127650D+02  0.108264D+01 -0.217719D+01  0.121871D+01
      3  -0.405222D+01 -0.606782D+01 -0.135637D+01 -0.807506D+01 -0.691239D+01
      4   0.366021D+00  0.121525D+01 -0.795357D+01  0.158938D+02  0.188142D+02
      5   0.339831D+01 -0.196362D+01 -0.362435D+01  0.672480D+01  0.585644D+01
      6  -0.858723D+01  0.270661D+01 -0.425153D+01  0.347469D+01  0.332176D+01
                66            67            68            69            70 
      1   0.119049D+01  0.878336D+01 -0.214652D+02 -0.644301D+01  0.304784D+01
      2  -0.767393D+00  0.126040D+01  0.394768D+02  0.202629D+01 -0.102291D+01
      3  -0.423096D+00 -0.100438D+02 -0.180116D+02  0.441672D+01 -0.202493D+01
      4   0.494149D+01  0.240628D+02  0.447639D+02  0.948961D+01  0.545053D+01
      5   0.910929D+01  0.642147D+01  0.115492D+02  0.110370D+02  0.102326D+02
      6   0.425307D+01  0.507084D+01  0.132884D+02  0.170745D+02  0.515870D+01
                71            72            73            74            75 
      1  -0.471987D+01 -0.609088D+01  0.106317D+01  0.594563D+00 -0.241840D+00
      2   0.246055D+01  0.572097D+00 -0.358096D+01 -0.491988D+00 -0.414278D+00
      3   0.225932D+01  0.551878D+01  0.251779D+01 -0.102575D+00  0.656118D+00
      4   0.687976D+01  0.126872D+02 -0.185003D+00  0.165793D+01 -0.185839D+01
      5   0.130084D+02  0.103399D+02  0.246894D+00 -0.126187D+01  0.521216D+01
      6   0.143640D+02  0.975602D+01 -0.199281D+01  0.778197D+00 -0.744376D-01
                76            77            78            79            80 
      1   0.292587D+00 -0.528656D+01  0.328350D+01  0.466783D+00  0.526892D+01
      2   0.275799D+00  0.188928D+01 -0.568417D+00  0.375199D+00  0.286078D+00
      3  -0.568386D+00  0.339728D+01 -0.271508D+01 -0.841982D+00 -0.555500D+01
      4   0.251949D+01 -0.101856D+01  0.482709D+00 -0.659645D+00  0.873422D+00
      5  -0.639318D+00  0.586496D-01 -0.659562D+00  0.552688D+01  0.152625D+00
      6   0.861599D+00 -0.405593D+01  0.833604D+01  0.353758D+00  0.770509D+01
                81            82            83            84            85 
      1  -0.180484D+02 -0.241653D+00 -0.104930D+01 -0.274184D+01 -0.289791D+01
      2  -0.127411D+02  0.213555D+01  0.779151D+00  0.183383D+01  0.216949D+01
      3   0.307895D+02 -0.189389D+01  0.270152D+00  0.908013D+00  0.728414D+00
      4  -0.458646D+00  0.351770D-01  0.298266D+01  0.134721D+01  0.271028D+01
      5   0.111818D+01 -0.181936D+01  0.124744D+01  0.186763D+01  0.118053D+01
      6  -0.130137D+02  0.281607D+01  0.484744D+00  0.744743D+00  0.643344D+00
                86            87            88            89            90 
      1  -0.130631D+02 -0.491169D+01 -0.432309D+01 -0.594685D+01 -0.705074D+01
      2   0.174803D+02  0.638108D+01  0.236335D+01  0.423378D+01  0.203045D+01
      3  -0.441723D+01 -0.146938D+01  0.195975D+01  0.171307D+01  0.502029D+01
      4  -0.109062D+02 -0.424062D+01  0.145621D+00 -0.466090D+01 -0.406571D+01
      5  -0.422663D+01 -0.602005D+01  0.264679D+01 -0.432235D+01 -0.384543D+01
      6   0.116488D+02  0.973461D+01  0.911063D+00  0.996115D+01  0.892727D+01
                91            92            93            94            95 
      1  -0.110699D+02 -0.361888D+01  0.134970D+00 -0.172048D+02 -0.573512D+01
      2   0.100898D+02  0.440517D+00 -0.503890D-01  0.101184D+02  0.813884D+01
      3   0.980110D+00  0.317836D+01 -0.845806D-01  0.708636D+01 -0.240373D+01
      4  -0.482169D+01  0.903756D+00  0.553678D-01  0.604264D+01 -0.157042D+02
      5   0.671531D+00  0.546482D+00 -0.139446D+01  0.275501D+01 -0.294482D+01
      6   0.960716D+00 -0.662031D+00 -0.228752D+01 -0.619150D+00  0.271787D+01
                96            97            98            99           100 
      1  -0.293760D-01 -0.168231D+01 -0.146147D+01 -0.689518D+00 -0.753206D+00
      2   0.530178D+00  0.134456D+01  0.125427D+01 -0.437254D+00 -0.152820D+00
      3  -0.500802D+00  0.337756D+00  0.207199D+00  0.112677D+01  0.906026D+00
      4  -0.388095D+01  0.914886D+00 -0.320532D+01 -0.334150D+01  0.181259D+01
      5  -0.540436D+01  0.359520D+01 -0.285576D+01 -0.294819D+01  0.214116D+01
      6   0.174731D+01 -0.170701D+01  0.281317D+01  0.173356D+01  0.292870D+01
               101           102           103           104           105 
      1  -0.248787D+01 -0.171102D+01 -0.203694D-01 -0.172411D+01 -0.133902D+01
      2   0.369409D+01 -0.613279D+00  0.106254D+01  0.170952D+01  0.183096D+01
      3  -0.120622D+01  0.232430D+01 -0.104217D+01  0.145865D-01 -0.491941D+00
      4   0.345939D+01  0.272856D+01  0.302379D+01  0.135522D+01  0.168956D+01
      5   0.687800D+00  0.329438D+01  0.513952D+00  0.184844D+01  0.835567D+00
      6   0.292312D+01  0.628530D+01  0.212462D+01  0.136631D+01  0.322456D+01
               106           107           108           109           110 
      1  -0.134383D+01 -0.465853D+01 -0.735716D+01 -0.157228D+01 -0.691348D+01
      2  -0.232093D+01  0.566769D+01 -0.433552D+01  0.544133D+01  0.141658D+02
      3   0.366476D+01 -0.100916D+01  0.116927D+02 -0.386905D+01 -0.725233D+01
      4   0.620978D+01  0.231523D+01  0.508134D+01  0.492088D+01  0.860849D+01
      5   0.384868D+01  0.870300D+00  0.474986D+01 -0.127463D+01 -0.936729D+00
      6   0.556357D+01  0.571254D+01  0.154353D+02 -0.218212D+01 -0.352756D+01
               111           112           113           114           115 
      1   0.563221D+00 -0.524591D+01 -0.159867D+02  0.331315D+01  0.229942D+01
      2  -0.253348D+01  0.107694D+02  0.302729D+02 -0.658140D+01 -0.401489D+01
      3   0.197026D+01 -0.552353D+01 -0.142862D+02  0.326825D+01  0.171547D+01
      4  -0.162831D+01  0.961550D+01  0.106523D+02 -0.297911D+01 -0.341682D+01
      5   0.192069D+01  0.179370D+00 -0.126786D+01  0.783771D+00  0.179620D+01
      6   0.329376D+01 -0.351679D+01 -0.795076D+01  0.641188D+01  0.366864D+01
               116           117           118           119           120 
      1   0.734338D+01 -0.462872D+01 -0.939750D+01 -0.921263D+01  0.106138D+02
      2  -0.121226D+02  0.543817D+01  0.523753D+01  0.640934D+01 -0.867382D+00
      3   0.477924D+01 -0.809457D+00  0.415996D+01  0.280329D+01 -0.974643D+01
      4  -0.423513D+01  0.308515D+01  0.697972D+01  0.391164D+01 -0.232473D+01
      5   0.137052D+01 -0.933041D+00 -0.941508D+01 -0.384926D+01  0.312743D+01
      6   0.914191D+01 -0.603806D+01 -0.749270D+01 -0.805893D+01  0.862429D+01
               121           122           123           124           125 
      1  -0.766821D+01 -0.859065D+01  0.620162D+01  0.693363D+01  0.508803D+01
      2   0.515006D+01  0.779756D+01 -0.330924D+01 -0.740001D+00 -0.262566D+01
      3   0.251815D+01  0.793088D+00 -0.289238D+01 -0.619363D+01 -0.246237D+01
      4   0.568753D+01  0.644424D+00  0.205643D+00 -0.204462D+01 -0.466162D+00
      5  -0.482950D+01 -0.373769D+00  0.131248D+01  0.530488D+01  0.216665D+01
      6  -0.476444D+01 -0.851837D+01  0.806913D+01  0.564447D+01  0.683905D+01
               126           127           128           129           130 
      1  -0.801279D+01  0.163076D+02 -0.646830D+01  0.167413D+01 -0.723535D+01
      2  -0.899221D+00 -0.412930D+01 -0.334725D+01 -0.306768D+01 -0.253974D+01
      3   0.891201D+01 -0.121783D+02  0.981556D+01  0.139355D+01  0.977509D+01
      4   0.267557D+01 -0.218593D+02  0.198289D+02 -0.759451D+01  0.188631D+02
      5  -0.264709D+01  0.164863D+02 -0.112784D+02  0.119692D+02 -0.108391D+02
      6  -0.597740D+01 -0.103447D+02  0.106018D+02 -0.703411D+01  0.863171D+01
               131           132           133           134           135 
      1  -0.915929D+00  0.159091D+01  0.525641D+00  0.101241D+01  0.217450D+00
      2   0.105766D+02 -0.142992D+01 -0.209778D+01 -0.129476D+00 -0.174154D+01
      3  -0.966070D+01 -0.160991D+00  0.157214D+01 -0.882937D+00  0.152409D+01
      4  -0.209738D+02  0.761815D+01 -0.352571D+01  0.408838D+01 -0.512385D+01
      5   0.109821D+02 -0.698236D+01  0.825494D+01 -0.495888D+01  0.554640D+01
      6  -0.130628D+02  0.966385D+01 -0.491144D+01  0.728217D+01 -0.424333D+01
               136           137           138           139           140 
      1   0.160460D+01  0.788279D+00  0.219681D+01  0.275504D+01 -0.199044D+01
      2  -0.302371D+01 -0.264850D+01 -0.440142D+01 -0.454540D+01 -0.364449D+01
      3   0.141912D+01  0.186023D+01  0.220461D+01  0.179036D+01  0.563493D+01
      4   0.110226D+01  0.507970D+01  0.767565D+00  0.420788D+01  0.810073D+01
      5   0.578784D+01  0.242366D+01  0.798608D+01  0.602991D+01  0.736688D+01
      6   0.384810D+00  0.293180D+01  0.138428D+01  0.215038D+01  0.112178D+02
               141           142           143           144           145 
      1  -0.514042D+01  0.224164D+01 -0.273912D+01 -0.749403D+01  0.179854D+01
      2  -0.989906D+01 -0.428849D+01 -0.658268D+01 -0.126078D+02 -0.319181D+01
      3   0.150395D+02  0.204685D+01  0.932179D+01  0.201018D+02  0.139327D+01
      4   0.548387D+01  0.302348D+00  0.502763D+01  0.487612D+01 -0.613522D+00
      5   0.120844D+02  0.749901D+01  0.607033D+01  0.127857D+02 -0.375080D+01
      6   0.732190D+01  0.122202D+01  0.865197D+01  0.620287D+01 -0.655541D+00
               146           147           148           149           150 
      1  -0.509189D+00 -0.521147D+01 -0.364378D+00 -0.698500D+00  0.275452D+01
      2   0.276809D+00  0.249245D+01 -0.299922D+00 -0.481751D+00  0.163402D+01
      3   0.232380D+00  0.271902D+01  0.664300D+00  0.118025D+01 -0.438854D+01
      4   0.241029D+01 -0.101109D+01  0.504566D+01  0.506059D+01 -0.519963D+01
      5  -0.734756D+00  0.597478D+01 -0.201260D+01 -0.497593D+01  0.870632D+01
      6  -0.122695D+00  0.315025D+00 -0.137028D+01 -0.336039D+01  0.750463D+01
               151           152           153           154           155 
      1  -0.895321D+01  0.300645D+01 -0.127127D+02  0.975938D+01  0.456125D+01
      2   0.858431D+01  0.141572D+01 -0.180792D+02 -0.212110D+01  0.287817D+00
      3   0.368898D+00 -0.442217D+01  0.307920D+02 -0.763828D+01 -0.484907D+01
      4  -0.278634D+01 -0.722628D+01  0.794051D+01  0.616832D+01  0.115920D+02
      5   0.145446D+02  0.859350D+01 -0.415539D+02  0.313177D+01  0.280581D+01
      6   0.100219D+01  0.783410D+01 -0.780850D+01  0.112705D+01 -0.576636D+00
               156           157           158           159           160 
      1   0.389691D+01  0.110986D+02  0.513731D+01  0.163036D+01  0.104332D+02
      2  -0.107396D+01 -0.255471D+01  0.925581D+01  0.323659D+01 -0.428361D+01
      3  -0.282295D+01 -0.854391D+01 -0.143931D+02 -0.486695D+01 -0.614956D+01
      4   0.370452D+01  0.161767D+02  0.284533D+02  0.767349D+01  0.672276D+01
      5   0.315049D+01  0.182997D+01  0.747773D+01  0.106151D+02  0.420971D+01
      6   0.505279D+00 -0.243202D+00  0.321930D+00  0.353678D+01  0.145262D+01
               161           162           163           164           165 
      1   0.269385D+01 -0.121821D+00  0.539149D+02 -0.183564D+02  0.653751D+00
      2   0.287652D+01 -0.272350D+00 -0.259963D+02  0.830264D+01  0.866585D+00
      3  -0.557038D+01  0.394170D+00 -0.279185D+02  0.100538D+02 -0.152034D+01
      4   0.121402D+02  0.780700D+01 -0.212197D+02  0.171044D+02  0.476095D+00
      5   0.820521D+01  0.639946D+01 -0.625439D+01  0.246921D+01  0.876518D+01
      6   0.307867D+01  0.232292D+01  0.377711D+01 -0.315327D+01 -0.107608D+01
               166           167           168           169           170 
      1  -0.282309D+02  0.130937D+02  0.966372D+00  0.695433D+01 -0.832613D+00
      2   0.123833D+02 -0.201401D+01 -0.106627D+01 -0.242965D+01  0.679878D+00
      3   0.158476D+02 -0.110797D+02  0.998997D-01 -0.452468D+01  0.152734D+00
      4   0.204269D+02 -0.172074D+02  0.115583D+01 -0.132364D+01  0.318428D+01
      5   0.481637D+01 -0.405580D+00 -0.597391D+01  0.771467D+01 -0.252170D+01
      6  -0.332366D+01  0.323178D+01  0.240653D+01 -0.125569D+01  0.201968D+01
               171 
      1   0.365634D+01
      2  -0.341777D+01
      3  -0.238573D+00
      4  -0.239884D+01
      5  -0.161285D+01
      6  -0.516522D+00
 Leave Link  716 at Mon Aug 16 21:40:17 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.866935D+02 -0.876050D-01 -0.205479D+01
      2  -0.876050D-01  0.807227D+02  0.148345D+01
      3  -0.205479D+01  0.148345D+01  0.707921D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.609716D+00 -0.245213D+00  0.102485D+01
      2   0.259943D+01 -0.798246D+01  0.337798D+02
      3   0.649543D+01 -0.171851D+02  0.858951D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.727312D+02 -0.762509D+01 -0.260049D+01
      2  -0.417106D+02  0.866496D+01 -0.103338D+01
      3  -0.310205D+02 -0.103987D+01  0.363387D+01
      4  -0.347388D+01  0.368182D+02 -0.213594D+02
      5   0.569349D+01 -0.233222D+02  0.742453D+02
      6  -0.912761D+01  0.754931D+01 -0.827758D-01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.129218D+01  0.370532D+01 -0.206928D+01  0.415962D+01 -0.289817D+01
      2   0.370532D+01 -0.246713D+01 -0.917788D+00 -0.289817D+01 -0.213124D+01
      3  -0.206928D+01 -0.917788D+00  0.514403D+00 -0.844556D+00 -0.203441D+01
                 6             7             8             9            10 
      1  -0.844556D+00 -0.228303D+01 -0.559208D+00 -0.316791D+00  0.202114D+01
      2  -0.203441D+01 -0.559208D+00 -0.202507D+01 -0.288315D+01 -0.327204D+01
      3  -0.267573D+01 -0.316791D+00 -0.288315D+01  0.593782D+01  0.241749D+01
                11            12            13            14            15 
      1  -0.327204D+01  0.241749D+01 -0.414412D+01  0.162982D+01  0.977622D+00
      2   0.178077D+01  0.111747D+01  0.162982D+01  0.245834D+01  0.226360D+01
      3   0.111747D+01 -0.218860D+00  0.977622D+00  0.226360D+01  0.306362D+01
                16            17            18            19            20 
      1   0.273885D+01  0.742879D+00 -0.238523D-01 -0.767331D+00  0.316639D+01
      2   0.742879D+00  0.206837D+01  0.345063D+01  0.316639D+01 -0.884426D+00
      3  -0.238523D-01  0.345063D+01 -0.349817D+01 -0.445294D+00 -0.227450D+00
                21            22            23            24            25 
      1  -0.445294D+00  0.352331D+01  0.222238D+00  0.222944D+00 -0.573105D+00
      2  -0.227450D+00  0.222238D+00 -0.185549D+01 -0.971091D+00  0.717103D+00
      3  -0.524190D-01  0.222944D+00 -0.971091D+00 -0.115535D+01  0.175481D+00
                26            27            28            29            30 
      1   0.717103D+00  0.175481D+00 -0.152624D+01 -0.219061D+01 -0.321651D+00
      2  -0.972194D+00 -0.208108D+01 -0.219061D+01  0.294949D+00  0.655116D+00
      3  -0.208108D+01  0.537190D+01 -0.321651D+00  0.655116D+00 -0.189771D+00
                31            32            33            34            35 
      1  -0.277234D+00  0.167764D+01  0.882520D+00  0.149201D+00  0.112895D+01
      2   0.167764D+01  0.519184D+01  0.162687D+01  0.112895D+01  0.198008D+01
      3   0.882520D+00  0.162687D+01  0.778952D+00  0.336109D+00  0.816027D+00
                36            37            38            39            40 
      1   0.336109D+00 -0.798037D+01  0.139044D+01  0.147911D+01 -0.208955D+01
      2   0.816027D+00  0.139044D+01 -0.197195D+01 -0.504438D+00 -0.364409D+01
      3  -0.321145D-01  0.147911D+01 -0.504438D+00 -0.117955D+01 -0.178381D+00
                41            42            43            44            45 
      1  -0.364409D+01 -0.178381D+00  0.119428D+01 -0.779528D+00 -0.200906D+01
      2  -0.134511D+01 -0.224033D+00 -0.779528D+00 -0.614679D+00  0.650868D+00
      3  -0.224033D+00 -0.558905D-01 -0.200906D+01  0.650868D+00  0.196308D+01
                46            47            48            49            50 
      1   0.188566D+00  0.464660D+01 -0.288291D+01  0.459467D+01 -0.209480D+01
      2   0.464660D+01 -0.224676D+01 -0.668172D+00 -0.209480D+01 -0.241898D+00
      3  -0.288291D+01 -0.668172D+00  0.280103D+00 -0.740241D+00 -0.290975D+01
                51            52            53            54            55 
      1  -0.740241D+00 -0.228956D+01 -0.741816D+00  0.187036D+00 -0.928355D+00
      2  -0.290975D+01 -0.741816D+00 -0.242382D+01 -0.291039D+01 -0.106554D+01
      3  -0.231025D+01  0.187036D+00 -0.291039D+01  0.192455D+01 -0.139173D+00
                56            57            58            59            60 
      1  -0.106554D+01 -0.139173D+00 -0.861105D+00 -0.275278D+01  0.224045D+00
      2  -0.266509D+01  0.354992D+00 -0.275278D+01  0.232375D+01  0.190906D+01
      3   0.354992D+00 -0.197656D+01  0.224045D+00  0.190906D+01  0.123570D+00
                61            62            63            64            65 
      1   0.557331D-01  0.457029D+00 -0.226385D+01 -0.145627D+01 -0.279471D+01
      2   0.457029D+00  0.212233D+01  0.491050D+00 -0.279471D+01 -0.186313D+01
      3  -0.226385D+01  0.491050D+00 -0.211363D+01 -0.993762D+00 -0.916283D+00
                66            67            68            69            70 
      1  -0.993762D+00 -0.417243D+01 -0.235349D+01 -0.618195D+00 -0.148007D+01
      2  -0.916283D+00 -0.235349D+01 -0.118029D+02 -0.234948D+01 -0.702396D+00
      3  -0.471904D+00 -0.618195D+00 -0.234948D+01 -0.269138D+01 -0.111687D+01
                71            72            73            74            75 
      1  -0.702396D+00 -0.111687D+01  0.256747D+00 -0.249438D+00 -0.104849D+01
      2  -0.187630D+01 -0.329427D+01 -0.249438D+00  0.808239D-01  0.311509D-01
      3  -0.329427D+01 -0.257081D+01 -0.104849D+01  0.311509D-01 -0.287770D-01
                76            77            78            79            80 
      1  -0.497424D+00 -0.721265D-01  0.156022D+00 -0.190720D+01 -0.484144D-01
      2  -0.721265D-01  0.146578D+01 -0.122144D+01 -0.484144D-01 -0.169621D+01
      3   0.156022D+00 -0.122144D+01  0.124878D+01 -0.179892D+00  0.175180D+01
                81            82            83            84            85 
      1  -0.179892D+00 -0.121143D+01 -0.371581D+00 -0.105129D+01 -0.106606D+01
      2   0.175180D+01 -0.371581D+00 -0.301814D+00 -0.827125D-01 -0.380507D+00
      3  -0.771317D+01 -0.105129D+01 -0.827125D-01 -0.203231D+00 -0.192908D+00
                86            87            88            89            90 
      1  -0.380507D+00 -0.192908D+00 -0.162832D+01 -0.201243D+00 -0.125839D-01
      2  -0.541304D+01 -0.214934D+01 -0.201243D+00 -0.225092D+01 -0.217834D+01
      3  -0.214934D+01 -0.259108D+01 -0.125839D-01 -0.217834D+01 -0.212356D+01
                91            92            93            94            95 
      1   0.115011D+01  0.195943D+01  0.514272D-01  0.464341D+01  0.463560D+00
      2   0.195943D+01  0.435537D+00  0.190943D+00  0.463560D+00  0.424063D+01
      3   0.514272D-01  0.190943D+00 -0.290822D+00 -0.373704D+00  0.957829D+00
                96            97            98            99           100 
      1  -0.373704D+00  0.726159D+00 -0.284010D-01 -0.737323D+00  0.543437D+00
      2   0.957829D+00 -0.284010D-01  0.901919D+00  0.643917D+00  0.349095D+00
      3   0.112103D+01 -0.737323D+00  0.643917D+00  0.900771D+00  0.986209D+00
               101           102           103           104           105 
      1   0.349095D+00  0.986209D+00  0.246618D+00  0.585112D+00  0.563627D-01
      2   0.104996D+01  0.335234D+00  0.585112D+00  0.292102D+00  0.731018D+00
      3   0.335234D+00  0.166709D+01  0.563627D-01  0.731018D+00  0.124646D+00
               106           107           108           109           110 
      1   0.232534D+01 -0.536702D-01  0.176933D+01  0.111921D+01  0.150585D+01
      2  -0.536702D-01  0.217764D+01  0.764384D+00  0.150585D+01  0.281760D+01
      3   0.176933D+01  0.764384D+00  0.475485D+01 -0.281944D+00 -0.520606D+00
               111           112           113           114           115 
      1  -0.281944D+00  0.242332D+01  0.227778D+01 -0.555333D+00 -0.117805D+01
      2  -0.520606D+00  0.227778D+01  0.586602D+01 -0.115980D+01 -0.882052D+00
      3   0.655674D+00 -0.555333D+00 -0.115980D+01  0.131861D+01  0.650334D+00
               116           117           118           119           120 
      1  -0.882052D+00  0.650334D+00 -0.462632D+01 -0.189401D+01  0.163752D+01
      2  -0.266099D+01  0.139766D+01 -0.189401D+01 -0.176512D+01  0.130122D+01
      3   0.139766D+01 -0.113898D+01  0.163752D+01  0.130122D+01 -0.266665D+01
               121           122           123           124           125 
      1  -0.211863D+01 -0.104013D+01  0.762933D+00  0.125238D+01  0.771166D+00
      2  -0.104013D+01 -0.208320D+01  0.148780D+01  0.771166D+00  0.113564D+01
      3   0.762933D+00  0.148780D+01 -0.119425D+01 -0.137631D+01 -0.719516D+00
               126           127           128           129           130 
      1  -0.137631D+01  0.456718D+01 -0.313974D+01  0.170464D+01 -0.315333D+01
      2  -0.719516D+00 -0.313974D+01  0.316482D+01 -0.110254D+01  0.272179D+01
      3   0.167699D+01  0.170464D+01 -0.110254D+01  0.178677D+01 -0.900494D+00
               131           132           133           134           135 
      1   0.272179D+01 -0.900494D+00  0.812876D+00 -0.516420D+00  0.102176D+01
      2  -0.400394D+01  0.172040D+01 -0.516420D+00  0.985572D+00 -0.740015D+00
      3   0.172040D+01 -0.130314D+01  0.102176D+01 -0.740015D+00  0.802467D+00
               136           137           138           139           140 
      1   0.805002D+00  0.196872D+00  0.112560D+01  0.100989D+01  0.489329D+00
      2   0.196872D+00  0.819785D+00  0.419688D+00  0.489329D+00  0.330247D+01
      3   0.112560D+01  0.419688D+00  0.977594D+00  0.786056D+00  0.181295D+01
               141           142           143           144           145 
      1   0.786056D+00  0.116178D+01  0.289744D+00  0.701873D+00  0.213616D+00
      2   0.181295D+01  0.289744D+00  0.198277D+01  0.177313D+01 -0.720092D-01
      3   0.348910D+01  0.701873D+00  0.177313D+01  0.389241D+01 -0.789941D+00
               146           147           148           149           150 
      1  -0.720092D-01 -0.789941D+00  0.353464D-01  0.628529D+00 -0.245785D+00
      2   0.122305D+00  0.954479D-01  0.628529D+00  0.104632D+01 -0.113474D+01
      3   0.954479D-01 -0.282683D-01 -0.245785D+00 -0.113474D+01  0.166587D+01
               151           152           153           154           155 
      1  -0.211874D+01 -0.293406D+00  0.165537D+01  0.136894D+01  0.917491D+00
      2  -0.293406D+00 -0.151531D+01  0.186641D+01  0.917491D+00  0.137071D+01
      3   0.165537D+01  0.186641D+01 -0.869806D+01  0.687107D+00  0.396726D+00
               156           157           158           159           160 
      1   0.687107D+00  0.236268D+01  0.196858D+01  0.265652D+00  0.196462D+01
      2   0.396726D+00  0.196858D+01  0.501381D+01  0.137475D+01  0.791404D+00
      3   0.369255D+00  0.265652D+00  0.137475D+01  0.185169D+01  0.565007D+00
               161           162           163           164           165 
      1   0.791404D+00  0.565007D+00  0.755453D+01 -0.278780D+01 -0.653620D-01
      2   0.218663D+01  0.146055D+01 -0.278780D+01  0.222816D+01  0.419959D-01
      3   0.146055D+01  0.104500D+01 -0.653620D-01  0.419959D-01  0.105592D+01
               166           167           168           169           170 
      1  -0.461898D+01  0.257171D+01  0.315440D+00  0.107685D+01 -0.917222D-01
      2   0.257171D+01 -0.232422D+01  0.269800D+00 -0.917222D-01  0.494552D+00
      3   0.315440D+00  0.269800D+00 -0.808793D+00  0.974225D+00 -0.259678D+00
               171 
      1   0.974225D+00
      2  -0.259678D+00
      3  -0.381335D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.277762D+01  0.228647D+01  0.107210D+01  0.280377D+01  0.212276D+01
      2  -0.696887D+01  0.742584D+00  0.101174D+01  0.159385D+01 -0.829673D+01
      3  -0.113118D+02  0.605832D+01  0.272636D+01  0.125648D+02  0.705132D+01
                 6             7             8             9            10 
      1   0.436576D+00  0.179686D+01  0.429801D+01 -0.236819D-01  0.309581D+01
      2  -0.853917D+01 -0.625180D+01 -0.895516D+01  0.170523D+02  0.666556D+01
      3   0.525867D+01  0.856437D+00  0.622757D+01  0.786162D+01  0.380381D+01
                11            12            13            14            15 
      1  -0.493458D+00 -0.140137D+00 -0.494387D+00  0.314246D+01 -0.264909D+01
      2  -0.964810D+00  0.372953D+01 -0.171564D+01  0.385618D+01  0.346408D+01
      3  -0.272709D+01 -0.147323D+01  0.381906D+01 -0.568199D+01 -0.476939D+01
                16            17            18            19            20 
      1   0.380996D-01  0.374536D+01 -0.260960D+01 -0.324149D+01  0.635481D+00
      2  -0.350095D+01  0.387352D+01 -0.316623D+01 -0.126551D+01  0.122338D+01
      3  -0.199774D+01 -0.397770D+01 -0.401361D+01  0.178985D+01 -0.436776D+01
                21            22            23            24            25 
      1  -0.109294D+01  0.346908D+00  0.755451D+00  0.981066D+00 -0.162076D+01
      2   0.127942D+01  0.450400D+01 -0.190182D+01  0.249127D+01 -0.322838D+01
      3   0.626765D+00  0.105635D+01 -0.304750D+01  0.140202D+01 -0.120677D+01
                26            27            28            29            30 
      1   0.533122D+01  0.608233D+00  0.116039D+01  0.124895D+01  0.276842D+00
      2   0.106145D+01 -0.233610D+01 -0.533002D+01  0.577581D+00 -0.467459D+01
      3   0.111355D+01  0.609775D+00 -0.721009D+01 -0.138959D+00 -0.131084D+01
                31            32            33            34            35 
      1   0.252393D+01 -0.545986D+01  0.687284D+01  0.122351D+01  0.669721D+01
      2   0.583411D+01  0.402560D-02 -0.260023D+01 -0.170190D+02 -0.278121D+01
      3  -0.928043D-01  0.114237D+02  0.762822D-01 -0.336063D+01 -0.427100D+00
                36            37            38            39            40 
      1   0.532577D+01 -0.151851D+01 -0.258023D+01  0.235736D+01 -0.176680D+01
      2   0.343368D+01  0.693220D+00  0.233982D+01  0.888851D+01  0.166936D+01
      3   0.929648D+00 -0.374497D+01 -0.145595D+02 -0.117631D+01 -0.111414D+02
                41            42            43            44            45 
      1  -0.166332D+01 -0.384153D+01  0.657356D-01  0.230685D+01 -0.153792D+01
      2   0.179028D+01  0.896950D+00  0.598890D+01  0.230596D+00 -0.541482D+01
      3  -0.105117D+02 -0.119125D+01 -0.256067D+00  0.566837D-01  0.111618D+01
                46            47            48            49            50 
      1   0.477884D+01 -0.472973D+01 -0.550203D+00 -0.407643D+01 -0.329352D+01
      2  -0.500596D+01 -0.943071D+01  0.931793D+01 -0.783251D+01 -0.101038D+01
      3  -0.752073D+01 -0.418307D+01  0.462795D+01 -0.388176D+00  0.324726D+01
                51            52            53            54            55 
      1  -0.118676D+02 -0.112842D+01 -0.678486D+01 -0.199649D+01  0.649020D+00
      2  -0.266813D+01  0.242520D+01 -0.284885D+01  0.132189D+01  0.560604D+00
      3   0.504738D+01  0.365219D+01  0.487378D+01  0.369767D+01 -0.315201D+01
                56            57            58            59            60 
      1  -0.333755D+01  0.598243D+01 -0.329126D+01 -0.681160D+01 -0.463564D+01
      2   0.182301D+01  0.598457D+01 -0.304478D+00  0.422913D+00 -0.142521D+01
      3  -0.101350D+02 -0.172672D+01  0.212548D+01 -0.291938D+01  0.183145D+01
                61            62            63            64            65 
      1   0.655002D+01  0.403853D+01  0.475359D+01  0.394648D+00  0.102198D+01
      2  -0.190052D+01 -0.118623D+01  0.194076D+01  0.135336D+01  0.355035D+00
      3   0.480130D+00  0.374229D+01 -0.549149D+01 -0.129087D+01 -0.453591D+01
                66            67            68            69            70 
      1  -0.226377D+01  0.249706D+00  0.488241D+01 -0.100002D+02 -0.440768D+00
      2   0.477027D+01 -0.588326D+01  0.167818D+01  0.534843D+01  0.868661D+00
      3  -0.695419D+00  0.955164D+01 -0.196064D+02 -0.248046D+01  0.163845D+01
                71            72            73            74            75 
      1   0.195580D+01 -0.210387D+01  0.692230D+00 -0.368251D+00  0.131444D+00
      2   0.567710D+01  0.302613D+01  0.120257D+01 -0.168643D+00  0.735296D-01
      3  -0.229120D+01 -0.553753D+01  0.583702D+00 -0.415405D+00 -0.508831D+00
                76            77            78            79            80 
      1  -0.249418D+00 -0.173413D+01 -0.708240D+00  0.234093D+00  0.274467D+01
      2  -0.214000D+00  0.434413D+00 -0.355853D+00 -0.383864D+01 -0.295516D-01
      3   0.146861D+01  0.384166D+00 -0.281019D+00 -0.103543D+01 -0.489691D+00
                81            82            83            84            85 
      1   0.201628D+01 -0.913102D+00  0.147625D+00 -0.209773D+00 -0.148613D+00
      2   0.893419D+00 -0.274361D+01 -0.232838D+00 -0.138589D+00 -0.168614D+01
      3   0.967824D-01  0.277446D+01  0.480501D+00  0.113849D+01  0.458814D+01
                86            87            88            89            90 
      1   0.107509D+01 -0.318216D+01  0.312850D-01  0.715625D+00 -0.100106D+01
      2  -0.248650D+01 -0.297188D+01 -0.283280D+01 -0.241114D+01 -0.229932D+01
      3   0.722631D+01  0.316251D+01  0.249790D+01  0.312776D+01  0.290092D+01
                91            92            93            94            95 
      1   0.131174D+01  0.158776D+01  0.141831D+01  0.178480D+01  0.216155D+01
      2  -0.224756D+01 -0.213061D+01 -0.162710D+01 -0.231608D+01 -0.403930D+01
      3   0.596115D+01  0.843765D+01  0.776177D+00  0.120549D+02  0.164926D+02
                96            97            98            99           100 
      1  -0.441178D+00  0.127164D+01  0.167679D+01 -0.249698D+00 -0.280185D+01
      2  -0.360571D+01 -0.208974D+01 -0.229031D+01 -0.123186D+01 -0.180412D+01
      3   0.287759D+01  0.134203D+01  0.223063D+01  0.260119D+00  0.227953D+01
               101           102           103           104           105 
      1   0.116822D+01 -0.512014D+01  0.109146D+01 -0.222476D+01  0.389459D+00
      2   0.416382D-01 -0.847963D+00  0.313474D+00 -0.108847D+01  0.703268D+00
      3  -0.277811D+00  0.241476D+01  0.440118D+00  0.122007D+01 -0.281434D-02
               106           107           108           109           110 
      1  -0.568744D+01  0.158905D+01 -0.109871D+02  0.108664D+01  0.239868D+01
      2  -0.401756D+01  0.613609D+00 -0.204226D+01  0.298984D+00 -0.310658D+00
      3   0.584660D+01 -0.588720D+00  0.478476D+01  0.409544D+01  0.286325D+01
               111           112           113           114           115 
      1  -0.260119D+01  0.280381D+01  0.449646D+01 -0.422671D+01 -0.234940D+01
      2   0.174148D+00 -0.342367D+00 -0.413939D+00  0.570918D+00 -0.942741D+00
      3  -0.908525D+00  0.782604D+01  0.564557D+01 -0.189239D+01 -0.397258D+01
               116           117           118           119           120 
      1  -0.297004D+01  0.293402D+01 -0.167704D+01 -0.237112D+01 -0.186326D+01
      2   0.202778D+00 -0.195286D+00  0.115793D+02  0.436707D+01 -0.336919D+01
      3  -0.262427D+01  0.196889D+01  0.944956D+01  0.276575D+01 -0.282883D+01
               121           122           123           124           125 
      1  -0.120132D+01 -0.148749D+01 -0.107411D+00 -0.492260D+00  0.225843D+01
      2   0.484317D+01  0.319859D+01 -0.185884D+01 -0.500837D+01 -0.211225D+01
      3   0.537910D+01  0.295928D+01 -0.244880D+01 -0.227699D+01 -0.159063D+01
               126           127           128           129           130 
      1   0.674466D+00 -0.294330D+01  0.436940D+01  0.162956D+01  0.310478D+01
      2   0.346996D+01 -0.480911D+01  0.297440D+01  0.241971D+01  0.423625D+01
      3   0.259228D+01 -0.133948D+01 -0.296420D+01  0.620567D-01  0.166154D+01
               131           132           133           134           135 
      1  -0.396399D+01 -0.735671D+00  0.986200D-01  0.190956D+01 -0.193104D+00
      2  -0.158921D+01 -0.139910D+01 -0.132744D+01  0.188631D+00 -0.146105D+00
      3   0.339033D+01 -0.150188D+01 -0.578049D+00 -0.110093D+01 -0.192302D+00
               136           137           138           139           140 
      1   0.148738D+01  0.192171D+01  0.135437D+01  0.882941D+00  0.107015D+02
      2   0.319460D+00  0.210925D+00  0.661639D+00 -0.185788D+01  0.235252D+01
      3  -0.427070D+00 -0.207948D+01 -0.150121D+01  0.619568D+00 -0.672720D+01
               141           142           143           144           145 
      1   0.463052D+01  0.127768D+01  0.780491D+01  0.624824D+01  0.191214D+00
      2   0.411946D+01 -0.248688D+01  0.190996D+01  0.419871D+01 -0.246624D+01
      3  -0.299523D+01 -0.795536D+00 -0.339073D+01 -0.317646D+01  0.225172D+00
               146           147           148           149           150 
      1   0.569245D-01 -0.106021D+00 -0.318886D+00 -0.135014D+01 -0.545348D+00
      2  -0.109297D+00  0.383143D+00  0.292045D-01 -0.203048D+01  0.457249D+01
      3  -0.100198D+01 -0.196865D+00 -0.322062D+00 -0.287072D+01  0.260141D+01
               151           152           153           154           155 
      1  -0.104525D+00  0.365828D+01  0.878870D+00 -0.102678D+01 -0.126946D+01
      2  -0.120154D+01  0.473572D+01 -0.215165D+02  0.311074D+01  0.180317D+01
      3  -0.362790D+00  0.426724D+01 -0.487930D+01 -0.281100D+01 -0.427905D+01
               156           157           158           159           160 
      1  -0.957730D+00 -0.134705D+01 -0.388730D+01 -0.407091D+01 -0.788420D+00
      2   0.223861D+01  0.171213D+01  0.616022D+01  0.647874D+01  0.814122D+00
      3  -0.792477D+00 -0.195444D+01 -0.154630D+02 -0.462900D+01 -0.470300D+00
               161           162           163           164           165 
      1  -0.849425D+00 -0.221504D+01  0.205179D+01 -0.169340D+01  0.682733D+00
      2   0.480178D+01  0.398886D+01  0.582929D+01 -0.236895D+01  0.511868D+01
      3  -0.721961D+01 -0.419644D+01  0.788805D+01 -0.929927D+01  0.352525D-02
               166           167           168           169           170 
      1  -0.167004D+01  0.179634D+01 -0.169273D+01 -0.182456D-01  0.233069D+00
      2  -0.258319D+01  0.295951D+01 -0.322151D+01  0.220512D+01 -0.637211D+00
      3  -0.591210D+01  0.774404D+01 -0.109326D+01 -0.858230D-03 -0.193894D+01
               171 
      1   0.221231D+00
      2   0.509179D-01
      3   0.668484D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.105262D+02  0.224974D+02 -0.106796D+02  0.267640D+02 -0.154381D+02
      2   0.260609D+01 -0.126550D+02  0.488036D+01 -0.147614D+02  0.250226D+01
      3   0.792007D+01 -0.984243D+01  0.579923D+01 -0.120026D+02  0.129358D+02
      4   0.243320D+02 -0.134091D+02 -0.473675D+01 -0.192372D+02 -0.110282D+02
      5  -0.955848D+01 -0.759892D+01  0.405586D+01 -0.914224D+01 -0.952628D+01
      6  -0.462391D+01  0.196279D+01  0.763094D-01  0.144707D+01 -0.860778D+00
                 6             7             8             9            10 
      1  -0.787217D+01 -0.130842D+02 -0.566160D+01  0.109128D+02 -0.537304D+01
      2  -0.256259D+01  0.332406D+01 -0.441818D+01  0.664498D+01  0.128951D+01
      3   0.104348D+02  0.976016D+01  0.100798D+02 -0.175578D+02  0.408353D+01
      4  -0.109356D+02 -0.417198D+01 -0.124174D+02 -0.119654D+02 -0.103193D+02
      5  -0.128203D+02  0.464346D+00 -0.128144D+02  0.251999D+02  0.101318D+02
      6  -0.756182D-01 -0.112374D+01 -0.256776D+00  0.533558D+01 -0.422448D+01
                11            12            13            14            15 
      1  -0.918928D+01  0.885790D+01 -0.129623D+02  0.958823D+01  0.629645D+01
      2   0.429716D+01 -0.597934D+01  0.688023D+01 -0.762257D+01 -0.929331D+01
      3   0.489212D+01 -0.287856D+01  0.608204D+01 -0.196565D+01  0.299686D+01
      4   0.429595D+01  0.165733D+01  0.972106D+01  0.510490D+01  0.513737D+01
      5   0.326004D+01 -0.102540D+01  0.617776D+01  0.573843D+01  0.675017D+01
      6   0.139229D+01 -0.694005D+00  0.718839D+00 -0.922482D+01 -0.325428D+01
                16            17            18            19            20 
      1   0.120632D+02  0.480449D+01  0.426913D+01 -0.677034D+01 -0.493137D+00
      2  -0.598280D+01 -0.330788D+01 -0.468668D+01  0.896817D+01 -0.329200D-02
      3  -0.608041D+01 -0.149661D+01  0.417550D+00 -0.219783D+01  0.496429D+00
      4   0.447003D+01  0.492446D+01  0.800145D+01 -0.127110D+01  0.417773D+01
      5  -0.134738D+00  0.801841D+01 -0.858224D+01 -0.243776D+01 -0.151960D+00
      6   0.738546D+00 -0.523514D+01  0.108500D+01  0.339023D+01 -0.250142D+01
                21            22            23            24            25 
      1   0.750862D-01  0.616408D+01  0.322786D+01 -0.146982D+01 -0.447497D+01
      2   0.190388D+01 -0.225173D+01 -0.560215D+01 -0.293889D+01  0.311754D+01
      3  -0.197897D+01 -0.391235D+01  0.237429D+01  0.440872D+01  0.135743D+01
      4   0.108190D+01 -0.675000D+01  0.566348D+01  0.806075D+00 -0.446678D+01
      5   0.707967D+00 -0.231950D+01  0.494284D+00  0.327227D+01 -0.115876D+01
      6   0.690470D+00 -0.655744D+00  0.758444D+00 -0.500053D+01 -0.868010D+00
                26            27            28            29            30 
      1  -0.960528D+00  0.934090D+01 -0.723623D+01  0.110174D+02  0.204592D+01
      2  -0.869390D+01  0.751403D+01  0.121100D+01 -0.843014D+01 -0.647409D+01
      3   0.965443D+01 -0.168549D+02  0.602523D+01 -0.258722D+01  0.442817D+01
      4   0.921939D+00 -0.122912D+00  0.614030D+01 -0.799630D+01 -0.275401D+01
      5  -0.138981D+01  0.655830D+00  0.370184D+01 -0.304287D+01 -0.734837D+01
      6  -0.321333D+01  0.857770D+01 -0.150958D+01 -0.254826D+01 -0.106357D+01
                31            32            33            34            35 
      1   0.172712D+01  0.781946D+01  0.344410D+01  0.371936D+01 -0.111584D+01
      2  -0.434658D+01 -0.171137D+02  0.449106D+01 -0.437949D+01 -0.271609D+01
      3   0.261946D+01  0.929427D+01 -0.793516D+01  0.660135D+00  0.383193D+01
      4  -0.189181D+02 -0.226950D+02 -0.565954D+01 -0.101256D+02 -0.262026D+01
      5  -0.931084D+01 -0.772554D+01 -0.473051D+01 -0.177594D+00 -0.393113D+01
      6  -0.306279D+01 -0.841064D+01 -0.110932D+02 -0.316297D+01  0.179629D+01
                36            37            38            39            40 
      1  -0.397736D+01  0.501819D+02 -0.765040D+01 -0.518265D+01  0.655172D+01
      2  -0.287168D+01 -0.299771D+02  0.157694D+01  0.667182D+01 -0.724300D+01
      3   0.684903D+01 -0.202049D+02  0.607347D+01 -0.148917D+01  0.691276D+00
      4  -0.466227D+01 -0.170015D+02  0.158868D+02  0.219582D+01  0.175111D+02
      5   0.411143D+01 -0.935867D+01  0.135939D+01  0.164172D+02  0.416612D+00
      6  -0.717686D+01 -0.881237D+00 -0.951317D-01 -0.288982D+01 -0.162642D+01
                41            42            43            44            45 
      1   0.114699D+02 -0.497439D+00 -0.318930D+01  0.266440D+01  0.633584D+01
      2  -0.430920D+01 -0.151797D+01  0.305737D+01 -0.151347D+01 -0.103191D+02
      3  -0.716072D+01  0.201541D+01  0.131927D+00 -0.115093D+01  0.398328D+01
      4  -0.102229D+01 -0.692123D+00  0.467022D+01 -0.859194D+00 -0.341890D+01
      5  -0.461240D+00 -0.792898D+00  0.155709D+02 -0.378461D+01 -0.118846D+02
      6  -0.105226D+01  0.658061D+01 -0.980054D+00  0.449084D+01  0.159625D+01
                46            47            48            49            50 
      1   0.822222D+01  0.135476D+02 -0.878438D+01  0.128536D+02 -0.339001D+01
      2  -0.894871D+01 -0.608030D+00  0.515981D+01 -0.117938D-01  0.647309D+01
      3   0.726489D+00 -0.129396D+02  0.362457D+01 -0.128418D+02 -0.308308D+01
      4   0.116678D+02 -0.164597D+02  0.567109D+01 -0.171603D+02  0.364803D+01
      5  -0.607562D+01  0.948607D+01 -0.560654D+01  0.804848D+01 -0.127689D+02
      6   0.157444D+02 -0.525523D+01 -0.309270D+01 -0.584991D+01  0.165691D+01
                51            52            53            54            55 
      1   0.315968D+01 -0.788571D+01  0.192268D+01 -0.601687D+01  0.154271D+02
      2   0.117508D+02  0.433329D+01  0.948152D+01  0.193212D+01 -0.114756D+02
      3  -0.149104D+02  0.355242D+01 -0.114042D+02  0.408475D+01 -0.395150D+01
      4  -0.832245D+01  0.326893D+01 -0.587993D+01 -0.864277D+01 -0.184927D+01
      5  -0.961529D+01 -0.644314D+01 -0.100013D+02  0.467023D+01 -0.113384D+01
      6  -0.741250D+01 -0.320702D+01 -0.496930D+01 -0.104631D+02 -0.696702D+00
                56            57            58            59            60 
      1   0.713193D+01 -0.899181D-01  0.489845D+01 -0.986711D+01 -0.592669D+01
      2  -0.132064D+02  0.380381D+01 -0.116323D+02  0.128451D+02  0.926405D+01
      3   0.607444D+01 -0.371389D+01  0.673381D+01 -0.297795D+01 -0.333737D+01
      4  -0.212602D+01 -0.123570D+01  0.314466D+01 -0.129787D+02  0.112907D+00
      5   0.195839D+00  0.260857D+01  0.723694D+00 -0.839081D+00 -0.239781D+01
      6   0.210463D+01 -0.796029D+01  0.132921D+01  0.117719D+02  0.601596D+01
                61            62            63            64            65 
      1  -0.237850D+01 -0.669715D+01  0.273733D+00  0.102523D+02  0.569368D+01
      2   0.643073D+01  0.127650D+02  0.108264D+01 -0.217719D+01  0.121871D+01
      3  -0.405222D+01 -0.606782D+01 -0.135637D+01 -0.807506D+01 -0.691239D+01
      4   0.366021D+00  0.121525D+01 -0.795357D+01  0.158938D+02  0.188142D+02
      5   0.339831D+01 -0.196362D+01 -0.362435D+01  0.672480D+01  0.585644D+01
      6  -0.858723D+01  0.270661D+01 -0.425153D+01  0.347469D+01  0.332176D+01
                66            67            68            69            70 
      1   0.119049D+01  0.878336D+01 -0.214652D+02 -0.644301D+01  0.304784D+01
      2  -0.767393D+00  0.126040D+01  0.394768D+02  0.202629D+01 -0.102291D+01
      3  -0.423096D+00 -0.100438D+02 -0.180116D+02  0.441672D+01 -0.202493D+01
      4   0.494149D+01  0.240628D+02  0.447639D+02  0.948961D+01  0.545053D+01
      5   0.910929D+01  0.642147D+01  0.115492D+02  0.110370D+02  0.102326D+02
      6   0.425307D+01  0.507084D+01  0.132884D+02  0.170745D+02  0.515870D+01
                71            72            73            74            75 
      1  -0.471987D+01 -0.609088D+01  0.106317D+01  0.594563D+00 -0.241840D+00
      2   0.246055D+01  0.572097D+00 -0.358096D+01 -0.491988D+00 -0.414278D+00
      3   0.225932D+01  0.551878D+01  0.251779D+01 -0.102575D+00  0.656118D+00
      4   0.687976D+01  0.126872D+02 -0.185003D+00  0.165793D+01 -0.185839D+01
      5   0.130084D+02  0.103399D+02  0.246894D+00 -0.126187D+01  0.521216D+01
      6   0.143640D+02  0.975602D+01 -0.199281D+01  0.778197D+00 -0.744376D-01
                76            77            78            79            80 
      1   0.292587D+00 -0.528656D+01  0.328350D+01  0.466783D+00  0.526892D+01
      2   0.275799D+00  0.188928D+01 -0.568417D+00  0.375199D+00  0.286078D+00
      3  -0.568386D+00  0.339728D+01 -0.271508D+01 -0.841982D+00 -0.555500D+01
      4   0.251949D+01 -0.101856D+01  0.482709D+00 -0.659645D+00  0.873422D+00
      5  -0.639318D+00  0.586496D-01 -0.659562D+00  0.552688D+01  0.152625D+00
      6   0.861599D+00 -0.405593D+01  0.833604D+01  0.353758D+00  0.770509D+01
                81            82            83            84            85 
      1  -0.180484D+02 -0.241653D+00 -0.104930D+01 -0.274184D+01 -0.289791D+01
      2  -0.127411D+02  0.213555D+01  0.779151D+00  0.183383D+01  0.216949D+01
      3   0.307895D+02 -0.189389D+01  0.270152D+00  0.908013D+00  0.728414D+00
      4  -0.458646D+00  0.351770D-01  0.298266D+01  0.134721D+01  0.271028D+01
      5   0.111818D+01 -0.181936D+01  0.124744D+01  0.186763D+01  0.118053D+01
      6  -0.130137D+02  0.281607D+01  0.484744D+00  0.744743D+00  0.643344D+00
                86            87            88            89            90 
      1  -0.130631D+02 -0.491169D+01 -0.432309D+01 -0.594685D+01 -0.705074D+01
      2   0.174803D+02  0.638108D+01  0.236335D+01  0.423378D+01  0.203045D+01
      3  -0.441723D+01 -0.146938D+01  0.195975D+01  0.171307D+01  0.502029D+01
      4  -0.109062D+02 -0.424062D+01  0.145621D+00 -0.466090D+01 -0.406571D+01
      5  -0.422663D+01 -0.602005D+01  0.264679D+01 -0.432235D+01 -0.384543D+01
      6   0.116488D+02  0.973461D+01  0.911063D+00  0.996115D+01  0.892727D+01
                91            92            93            94            95 
      1  -0.110699D+02 -0.361888D+01  0.134970D+00 -0.172048D+02 -0.573512D+01
      2   0.100898D+02  0.440517D+00 -0.503890D-01  0.101184D+02  0.813884D+01
      3   0.980110D+00  0.317836D+01 -0.845806D-01  0.708636D+01 -0.240373D+01
      4  -0.482169D+01  0.903756D+00  0.553678D-01  0.604264D+01 -0.157042D+02
      5   0.671531D+00  0.546482D+00 -0.139446D+01  0.275501D+01 -0.294482D+01
      6   0.960716D+00 -0.662031D+00 -0.228752D+01 -0.619150D+00  0.271787D+01
                96            97            98            99           100 
      1  -0.293760D-01 -0.168231D+01 -0.146147D+01 -0.689518D+00 -0.753206D+00
      2   0.530178D+00  0.134456D+01  0.125427D+01 -0.437254D+00 -0.152820D+00
      3  -0.500802D+00  0.337756D+00  0.207199D+00  0.112677D+01  0.906026D+00
      4  -0.388095D+01  0.914886D+00 -0.320532D+01 -0.334150D+01  0.181259D+01
      5  -0.540436D+01  0.359520D+01 -0.285576D+01 -0.294819D+01  0.214116D+01
      6   0.174731D+01 -0.170701D+01  0.281317D+01  0.173356D+01  0.292870D+01
               101           102           103           104           105 
      1  -0.248787D+01 -0.171102D+01 -0.203694D-01 -0.172411D+01 -0.133902D+01
      2   0.369409D+01 -0.613279D+00  0.106254D+01  0.170952D+01  0.183096D+01
      3  -0.120622D+01  0.232430D+01 -0.104217D+01  0.145865D-01 -0.491941D+00
      4   0.345939D+01  0.272856D+01  0.302379D+01  0.135522D+01  0.168956D+01
      5   0.687800D+00  0.329438D+01  0.513952D+00  0.184844D+01  0.835567D+00
      6   0.292312D+01  0.628530D+01  0.212462D+01  0.136631D+01  0.322456D+01
               106           107           108           109           110 
      1  -0.134383D+01 -0.465853D+01 -0.735716D+01 -0.157228D+01 -0.691348D+01
      2  -0.232093D+01  0.566769D+01 -0.433552D+01  0.544133D+01  0.141658D+02
      3   0.366476D+01 -0.100916D+01  0.116927D+02 -0.386905D+01 -0.725233D+01
      4   0.620978D+01  0.231523D+01  0.508134D+01  0.492088D+01  0.860849D+01
      5   0.384868D+01  0.870300D+00  0.474986D+01 -0.127463D+01 -0.936729D+00
      6   0.556357D+01  0.571254D+01  0.154353D+02 -0.218212D+01 -0.352756D+01
               111           112           113           114           115 
      1   0.563221D+00 -0.524591D+01 -0.159867D+02  0.331315D+01  0.229942D+01
      2  -0.253348D+01  0.107694D+02  0.302729D+02 -0.658140D+01 -0.401489D+01
      3   0.197026D+01 -0.552353D+01 -0.142862D+02  0.326825D+01  0.171547D+01
      4  -0.162831D+01  0.961550D+01  0.106523D+02 -0.297911D+01 -0.341682D+01
      5   0.192069D+01  0.179370D+00 -0.126786D+01  0.783771D+00  0.179620D+01
      6   0.329376D+01 -0.351679D+01 -0.795076D+01  0.641188D+01  0.366864D+01
               116           117           118           119           120 
      1   0.734338D+01 -0.462872D+01 -0.939750D+01 -0.921263D+01  0.106138D+02
      2  -0.121226D+02  0.543817D+01  0.523753D+01  0.640934D+01 -0.867382D+00
      3   0.477924D+01 -0.809457D+00  0.415996D+01  0.280329D+01 -0.974643D+01
      4  -0.423513D+01  0.308515D+01  0.697972D+01  0.391164D+01 -0.232473D+01
      5   0.137052D+01 -0.933041D+00 -0.941508D+01 -0.384926D+01  0.312743D+01
      6   0.914191D+01 -0.603806D+01 -0.749270D+01 -0.805893D+01  0.862429D+01
               121           122           123           124           125 
      1  -0.766821D+01 -0.859065D+01  0.620162D+01  0.693363D+01  0.508803D+01
      2   0.515006D+01  0.779756D+01 -0.330924D+01 -0.740001D+00 -0.262566D+01
      3   0.251815D+01  0.793088D+00 -0.289238D+01 -0.619363D+01 -0.246237D+01
      4   0.568753D+01  0.644424D+00  0.205643D+00 -0.204462D+01 -0.466162D+00
      5  -0.482950D+01 -0.373769D+00  0.131248D+01  0.530488D+01  0.216665D+01
      6  -0.476444D+01 -0.851837D+01  0.806913D+01  0.564447D+01  0.683905D+01
               126           127           128           129           130 
      1  -0.801279D+01  0.163076D+02 -0.646830D+01  0.167413D+01 -0.723535D+01
      2  -0.899221D+00 -0.412930D+01 -0.334725D+01 -0.306768D+01 -0.253974D+01
      3   0.891201D+01 -0.121783D+02  0.981556D+01  0.139355D+01  0.977509D+01
      4   0.267557D+01 -0.218593D+02  0.198289D+02 -0.759451D+01  0.188631D+02
      5  -0.264709D+01  0.164863D+02 -0.112784D+02  0.119692D+02 -0.108391D+02
      6  -0.597740D+01 -0.103447D+02  0.106018D+02 -0.703411D+01  0.863171D+01
               131           132           133           134           135 
      1  -0.915929D+00  0.159091D+01  0.525641D+00  0.101241D+01  0.217450D+00
      2   0.105766D+02 -0.142992D+01 -0.209778D+01 -0.129476D+00 -0.174154D+01
      3  -0.966070D+01 -0.160991D+00  0.157214D+01 -0.882937D+00  0.152409D+01
      4  -0.209738D+02  0.761815D+01 -0.352571D+01  0.408838D+01 -0.512385D+01
      5   0.109821D+02 -0.698236D+01  0.825494D+01 -0.495888D+01  0.554640D+01
      6  -0.130628D+02  0.966385D+01 -0.491144D+01  0.728217D+01 -0.424333D+01
               136           137           138           139           140 
      1   0.160460D+01  0.788279D+00  0.219681D+01  0.275504D+01 -0.199044D+01
      2  -0.302371D+01 -0.264850D+01 -0.440142D+01 -0.454540D+01 -0.364449D+01
      3   0.141912D+01  0.186023D+01  0.220461D+01  0.179036D+01  0.563493D+01
      4   0.110226D+01  0.507970D+01  0.767565D+00  0.420788D+01  0.810073D+01
      5   0.578784D+01  0.242366D+01  0.798608D+01  0.602991D+01  0.736688D+01
      6   0.384810D+00  0.293180D+01  0.138428D+01  0.215038D+01  0.112178D+02
               141           142           143           144           145 
      1  -0.514042D+01  0.224164D+01 -0.273912D+01 -0.749403D+01  0.179854D+01
      2  -0.989906D+01 -0.428849D+01 -0.658268D+01 -0.126078D+02 -0.319181D+01
      3   0.150395D+02  0.204685D+01  0.932179D+01  0.201018D+02  0.139327D+01
      4   0.548387D+01  0.302348D+00  0.502763D+01  0.487612D+01 -0.613522D+00
      5   0.120844D+02  0.749901D+01  0.607033D+01  0.127857D+02 -0.375080D+01
      6   0.732190D+01  0.122202D+01  0.865197D+01  0.620287D+01 -0.655541D+00
               146           147           148           149           150 
      1  -0.509189D+00 -0.521147D+01 -0.364378D+00 -0.698500D+00  0.275452D+01
      2   0.276809D+00  0.249245D+01 -0.299922D+00 -0.481751D+00  0.163402D+01
      3   0.232380D+00  0.271902D+01  0.664300D+00  0.118025D+01 -0.438854D+01
      4   0.241029D+01 -0.101109D+01  0.504566D+01  0.506059D+01 -0.519963D+01
      5  -0.734756D+00  0.597478D+01 -0.201260D+01 -0.497593D+01  0.870632D+01
      6  -0.122695D+00  0.315025D+00 -0.137028D+01 -0.336039D+01  0.750463D+01
               151           152           153           154           155 
      1  -0.895321D+01  0.300645D+01 -0.127127D+02  0.975938D+01  0.456125D+01
      2   0.858431D+01  0.141572D+01 -0.180792D+02 -0.212110D+01  0.287817D+00
      3   0.368898D+00 -0.442217D+01  0.307920D+02 -0.763828D+01 -0.484907D+01
      4  -0.278634D+01 -0.722628D+01  0.794051D+01  0.616832D+01  0.115920D+02
      5   0.145446D+02  0.859350D+01 -0.415539D+02  0.313177D+01  0.280581D+01
      6   0.100219D+01  0.783410D+01 -0.780850D+01  0.112705D+01 -0.576636D+00
               156           157           158           159           160 
      1   0.389691D+01  0.110986D+02  0.513731D+01  0.163036D+01  0.104332D+02
      2  -0.107396D+01 -0.255471D+01  0.925581D+01  0.323659D+01 -0.428361D+01
      3  -0.282295D+01 -0.854391D+01 -0.143931D+02 -0.486695D+01 -0.614956D+01
      4   0.370452D+01  0.161767D+02  0.284533D+02  0.767349D+01  0.672276D+01
      5   0.315049D+01  0.182997D+01  0.747773D+01  0.106151D+02  0.420971D+01
      6   0.505279D+00 -0.243202D+00  0.321930D+00  0.353678D+01  0.145262D+01
               161           162           163           164           165 
      1   0.269385D+01 -0.121821D+00  0.539149D+02 -0.183564D+02  0.653751D+00
      2   0.287652D+01 -0.272350D+00 -0.259963D+02  0.830264D+01  0.866585D+00
      3  -0.557038D+01  0.394170D+00 -0.279185D+02  0.100538D+02 -0.152034D+01
      4   0.121402D+02  0.780700D+01 -0.212197D+02  0.171044D+02  0.476095D+00
      5   0.820521D+01  0.639946D+01 -0.625439D+01  0.246921D+01  0.876518D+01
      6   0.307867D+01  0.232292D+01  0.377711D+01 -0.315327D+01 -0.107608D+01
               166           167           168           169           170 
      1  -0.282309D+02  0.130937D+02  0.966372D+00  0.695433D+01 -0.832613D+00
      2   0.123833D+02 -0.201401D+01 -0.106627D+01 -0.242965D+01  0.679878D+00
      3   0.158476D+02 -0.110797D+02  0.998997D-01 -0.452468D+01  0.152734D+00
      4   0.204269D+02 -0.172074D+02  0.115583D+01 -0.132364D+01  0.318428D+01
      5   0.481637D+01 -0.405580D+00 -0.597391D+01  0.771467D+01 -0.252170D+01
      6  -0.332366D+01  0.323178D+01  0.240653D+01 -0.125569D+01  0.201968D+01
               171 
      1   0.365634D+01
      2  -0.341777D+01
      3  -0.238573D+00
      4  -0.239884D+01
      5  -0.161285D+01
      6  -0.516522D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.207038D+01      0.526237D+01      0.175534D+02
   x          0.154786D+01      0.393428D+01      0.131233D+02
   y          0.136513D+01      0.346982D+01      0.115741D+02
   z          0.164283D+00      0.417565D+00      0.139285D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.740617D+02      0.109748D+02      0.122111D+02
   aniso      0.132828D+02      0.196831D+01      0.219004D+01
   xx         0.807011D+02      0.119587D+02      0.133058D+02
   yx        -0.457665D-02     -0.678190D-03     -0.754588D-03
   yy         0.752912D+02      0.111570D+02      0.124138D+02
   zx        -0.185131D+01     -0.274336D+00     -0.305240D+00
   zy         0.127550D+01      0.189009D+00      0.210301D+00
   zz         0.661928D+02      0.980876D+01      0.109137D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.794028D+02      0.117663D+02      0.130917D+02
   aniso      0.145894D+02      0.216193D+01      0.240547D+01
   xx         0.866935D+02      0.128467D+02      0.142938D+02
   yx        -0.876050D-01     -0.129817D-01     -0.144441D-01
   yy         0.807227D+02      0.119619D+02      0.133094D+02
   zx        -0.205479D+01     -0.304488D+00     -0.338789D+00
   zy         0.148345D+01      0.219824D+00      0.244587D+00
   zz         0.707921D+02      0.104903D+02      0.116720D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.03710086         -1.09842908          3.53932826
     6          1.71661404         -1.29760070          0.98095161
     6          0.22880301          1.12916899          0.37949233
     6         -0.66596329          1.14697422         -2.39244329
     8         -2.98841012          2.08991917         -2.71344322
     6          0.05751645         -3.65876329          0.82536092
     7         -1.91474647          1.69486481          2.05255782
     8          0.62535381          0.43068347         -4.11637230
     1          1.53851496          2.72335584          0.50867969
     1          3.14909156         -1.43991957         -0.49640871
     1         -3.57907889          2.50532414         -0.99789162
     1         -2.71854940          0.09691596          2.73392447
     1         -1.40008244          2.77425213          3.54056080
     1         -0.85478408         -3.82277760         -1.01540975
     1          1.19735469         -5.35165741          1.11392006
     1         -1.40774856         -3.67449984          2.28451712
     1          4.27801417          0.54925867          3.62055300
     1          1.67381743         -0.94532920          5.08403066
     1          4.18668751         -2.77189868          3.89800763

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.207038D+01      0.526237D+01      0.175534D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.207038D+01      0.526237D+01      0.175534D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.740617D+02      0.109748D+02      0.122111D+02
   aniso      0.132828D+02      0.196831D+01      0.219004D+01
   xx         0.736711D+02      0.109169D+02      0.121467D+02
   yx        -0.590766D+01     -0.875425D+00     -0.974041D+00
   yy         0.703470D+02      0.104243D+02      0.115987D+02
   zx         0.277889D+01      0.411789D+00      0.458177D+00
   zy        -0.886233D+00     -0.131326D+00     -0.146120D+00
   zz         0.781671D+02      0.115832D+02      0.128880D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.794028D+02      0.117663D+02      0.130917D+02
   aniso      0.145894D+02      0.216193D+01      0.240547D+01
   xx         0.790931D+02      0.117204D+02      0.130407D+02
   yx        -0.651761D+01     -0.965810D+00     -0.107461D+01
   yy         0.752927D+02      0.111572D+02      0.124141D+02
   zx         0.302832D+01      0.448751D+00      0.499303D+00
   zy        -0.101918D+01     -0.151027D+00     -0.168041D+00
   zz         0.838226D+02      0.124212D+02      0.138205D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U23-20\Freq\RLC-PBEPBE\Gen\C5H11N1O2\PIERPA\16-Aug-2021\0
 \\#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight
 ) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=0337000
 000,3/108=0337000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=
 -1)\\ROA calculations.\\0,1\C,2.440615,0.153795,-0.669675\C,1.13968,-0
 .482678,-0.185187\C,-0.064388,0.43396,-0.468576\C,-1.393633,-0.311348,
 -0.237189\O,-2.341078,0.435941,0.339139\C,1.225474,-0.882175,1.28852\N
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 5,0.666302,-1.537552\H,0.95508,-1.389343,-0.764288\H,-1.913463,1.30856
 6,0.499915\H,0.364571,1.641581,1.156509\H,0.373024,2.450485,-0.265418\
 H,0.304091,-1.355802,1.629384\H,2.039602,-1.591968,1.440373\H,1.432706
 ,-0.023887,1.934977\H,2.391139,0.402937,-1.732114\H,2.666906,1.070641,
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 te=1-A\HF=-402.5726162\RMSD=4.385e-09\RMSF=1.303e-05\ZeroPoint=0.16474
 05\Thermal=0.1739446\Dipole=1.547864,1.3651332,0.1642827\DipoleDeriv=-
 0.0139107,-0.0249612,0.0180127,0.0270821,0.0966454,0.0312951,0.0227795
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 1351691,-0.1369511,0.4086379,0.1052011,0.0990931,0.1933231,0.1921734,1
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 .6101234,0.0753651,0.0227889,0.0865912,-0.6272122,-0.1188595,0.0643245
 ,-0.1598577,-0.259283,-0.6522015,-0.2131776,-0.045163,-0.0999077,-1.08
 72916,-0.2480704,0.0198346,-0.1973507,-0.4445916,0.0457634,-0.0043978,
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 7624,0.0430203,-0.0113005,-0.0055993,-0.0010361,-0.0513371,-0.0460062,
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 ,-0.027233,0.0300534,0.06371\Polar=80.701108,-0.0045767,75.2912426,-1.
 8513133,1.2754989,66.1927954\Quadrupole=-4.221476,1.4338702,2.7876058,
 -2.8473957,-0.2601514,-1.2149075\PG=C01 [X(C5H11N1O2)]\NImag=0\\0.4943
 2183,-0.04048652,0.54395301,0.02989950,0.00793239,0.55859677,-0.151826
 05,-0.03862258,0.02619101,0.47033268,-0.03891367,-0.09941766,0.0124048
 5,0.03607856,0.54642284,0.02644889,0.01251179,-0.08808344,0.01418774,0
 .05870237,0.50635369,-0.03422466,0.01965944,-0.00223705,-0.12312810,0.
 02556309,-0.01610951,0.43930426,-0.00678326,0.01056364,-0.00364291,0.0
 3634946,-0.10081453,0.01189539,-0.00236909,0.46634322,0.00703852,-0.00
 496262,0.00112581,-0.01856276,0.00846917,-0.08049609,-0.00542267,-0.01
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 @


 TIME IS IN FACT THE HERO OF THE PLOT. THE TIME
 WITH WHICH WE HAVE TO DEAL IS OF THE ORDER OF TWO
 BILLION YEARS...GIVEN SO MUCH TIME, THE "IMPOSSIBLE"
 BECOMES POSSIBLE, THE POSSIBLE PROBABLE, THE PROBABLE
 VIRTUALLY CERTAIN.  ONE HAS ONLY TO WAIT, TIME
 ITSELF PERFORMS THE MIRACLES.
 "ORIGIN OF LIFE" LECTURES, GEORGE WALD, 1954
 Job cpu time:       0 days  2 hours 42 minutes 32.8 seconds.
 Elapsed time:       0 days  0 hours 20 minutes 23.0 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 21:40:17 2021.
